N-[3-[(3,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-[(3,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(3,5-dimethylanilino)-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(3,5-dimethylanilino)-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-(3,5-dimethylanilino)-3-keto-propyl]isonipecotamide Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O4S/c1-17-14-18(2)16-20(15-17)25-22(27)8-11-24-23(28)19-9-12-26(13-10-19)31(29,30)21-6-4-3-5-7-21/h3-7,14-16,19H,8-13H2,1-2H3,(H,24,28)(H,25,27)