N-[3-[(2-methoxy-5-methyl-phenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-[(2-methoxy-5-methyl-phenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(2-methoxy-5-methyl-anilino)-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-keto-3-(2-methoxy-5-methyl-anilino)propyl]isonipecotamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-17-8-9-21(31-2)20(16-17)25-22(27)10-13-24-23(28)18-11-14-26(15-12-18)32(29,30)19-6-4-3-5-7-19/h3-9,16,18H,10-15H2,1-2H3,(H,24,28)(H,25,27)