methyl 1-[4-chloranyl-3-[(4-methylphenyl)sulfamoyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-chloranyl-3-[(4-methylphenyl)sulfamoyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-chloro-3-(p-tolylsulfamoyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(p-tolylsulfamoyl)benzoyl]isonipecotic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)OC)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-14-3-6-17(7-4-14)23-30(27,28)19-13-16(5-8-18(19)22)20(25)24-11-9-15(10-12-24)21(26)29-2/h3-8,13,15,23H,9-12H2,1-2H3