1-[2-(phenylmethylsulfanyl)propanoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(phenylmethylsulfanyl)propanoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2-benzylsulfanylpropanoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-(phenylmethylthio)propyl]-N-(4-sulfamoylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-benzylsulfanylpropanoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(benzylthio)propanoyl]-N-(4-sulfamoylphenyl)isonipecotamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S2/c1-16(30-15-17-5-3-2-4-6-17)22(27)25-13-11-18(12-14-25)21(26)24-19-7-9-20(10-8-19)31(23,28)29/h2-10,16,18H,11-15H2,1H3,(H,24,26)(H2,23,28,29)