1-(2-Chloro-6-fluorobenzyl)-4-{3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]propyl}piperazine

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Systematic / IUPAC Name: N-({3-[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl]propyl}carbamoyl)-4-methylbenzenesulfonamide

ID: Reference6929

Other Names: 1-(3-{4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl}propyl)-3-[(4-methylbenzene)sulfonyl]urea;
1-(3-{4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl}propyl)-3-(4-methylphenyl)sulfonylurea ;
Benzenesulfonamide, N-{[(3-{4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl}propyl)amino]carbonyl}-4-methyl-

Formula: C22H28ClFN4O3S

Spectral Data

1-(2-Chloro-6-fluorobenzyl)-4-{3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]propyl}piperazine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2017 8:58:24 AM
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Identificators

InChI InChI=1S/C22H28ClFN4O3S/c1-17-6-8-18(9-7-17)32(30,31)26-22(29)25-10-3-11-27-12-14-28(15-13-27)16-19-20(23)4-2-5-21(19)24/h2,4-9H,3,10-16H2,1H3,(H2,25,26,29)
InChI Key CNFVBQPWCKMJSS-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCCN2CCN(CC2)CC3=C(C=CC=C3Cl)F
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Other Names 1-(3-{4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl}propyl)-3-[(4-methylbenzene)sulfonyl]urea;
1-(3-{4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl}propyl)-3-(4-methylphenyl)sulfonylurea ;
Benzenesulfonamide, N-{[(3-{4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl}propyl)amino]carbonyl}-4-methyl-

In Other Databases

ChemSpider 2075093
PubChem 2796218