({[Benzyl(2-cyanoethyl)amino]carbonyl}amino)(4-methylphenyl)dioxo-λ6-sulfane

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Systematic / IUPAC Name: N-[Benzyl(2-cyanoethyl)carbamoyl]-4-methylbenzenesulfonamide

ID: Reference6712

Other Names: 1-Benzyl-1-(2-cyanoethyl)-3-[(4-methylbenzene)sulfonyl]urea;
Benzenesulfonamide, N-{[(2-cyanoethyl)(phenylmethyl)amino]carbonyl}-4-methyl-

Formula: C18H19N3O3S

Spectral Data

({[Benzyl(2-cyanoethyl)amino]carbonyl}amino)(4-methylphenyl)dioxo-λ6-sulfane 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/14/2017 7:32:45 AM
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Identificators

InChI InChI=1S/C18H19N3O3S/c1-15-8-10-17(11-9-15)25(23,24)20-18(22)21(13-5-12-19)14-16-6-3-2-4-7-16/h2-4,6-11H,5,13-14H2,1H3,(H,20,22)
InChI Key ZJEWJGKFNGCCMK-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCC#N)CC2=CC=CC=C2
CAS
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Other Names 1-Benzyl-1-(2-cyanoethyl)-3-[(4-methylbenzene)sulfonyl]urea;
Benzenesulfonamide, N-{[(2-cyanoethyl)(phenylmethyl)amino]carbonyl}-4-methyl-

In Other Databases

PubChem 2812720
ChEMBL CHEMBL1884824
ChemSpider 2091124