N-[(4-acetamidophenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-1-(benzenesulfonyl)piperidine-3-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-1-(benzenesulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-1-(benzenesulfonyl)piperidine-3-carboxamide Traditional Name: N-(4-acetamidobenzyl)-1-besyl-nipecotamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-16(25)23-19-11-9-17(10-12-19)14-22-21(26)18-6-5-13-24(15-18)29(27,28)20-7-3-2-4-8-20/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,22,26)(H,23,25)