N-[3-[(4-butylphenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-[(4-butylphenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(4-butylanilino)-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(4-butylanilino)-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(4-butylanilino)-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-(4-butylanilino)-3-keto-propyl]isonipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-2-3-7-20-10-12-22(13-11-20)27-24(29)14-17-26-25(30)21-15-18-28(19-16-21)33(31,32)23-8-5-4-6-9-23/h4-6,8-13,21H,2-3,7,14-19H2,1H3,(H,26,30)(H,27,29)