Methyl 5-{[4-(4-chlorophenyl)-4-hydroxypiperidino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

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Systematic / IUPAC Name: Methyl 5-{[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

ID: Reference4053

Other Names: 1H-Pyrrole-2-carboxylic acid, 5-{[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]sulfonyl}-1-methyl-, methyl ester ;
Methyl 5-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

Formula: C18H21ClN2O5S

Spectral Data

Methyl 5-{[4-(4-chlorophenyl)-4-hydroxypiperidino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate 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 201
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/3/2016 10:41:33 AM
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Identificators

InChI InChI=1S/C18H21ClN2O5S/c1-20-15(17(22)26-2)7-8-16(20)27(24,25)21-11-9-18(23,10-12-21)13-3-5-14(19)6-4-13/h3-8,23H,9-12H2,1-2H3
InChI Key ZDKAATXNULNDFP-UHFFFAOYSA-N
Canonical SMILES CN1C(=CC=C1S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O)C(=O)OC
CAS
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Other Names 1H-Pyrrole-2-carboxylic acid, 5-{[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]sulfonyl}-1-methyl-, methyl ester ;
Methyl 5-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

In Other Databases

PubChem 2809934
ChemSpider 2088355