N-[4-(azepan-1-yl)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-1-(benzenesulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-besyl-isonipecotamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(25-21-10-12-22(13-11-21)26-16-6-1-2-7-17-26)20-14-18-27(19-15-20)31(29,30)23-8-4-3-5-9-23/h3-5,8-13,20H,1-2,6-7,14-19H2,(H,25,28)