N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]isonipecotamide Formula: C22H27N4O5S2+ MolecularWeight: 491.60358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O5S2/c27-22(17-12-15-26(16-13-17)33(30,31)20-5-2-1-3-6-20)24-18-8-10-19(11-9-18)32(28,29)25-21-7-4-14-23-21/h1-3,5-6,8-11,17H,4,7,12-16H2,(H,23,25)(H,24,27)/p+1