N-[3-[(3-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-[(3-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-[(3-methoxyphenyl)methylamino]-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-keto-3-(m-anisylamino)propyl]isonipecotamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-31-20-7-5-6-18(16-20)17-25-22(27)10-13-24-23(28)19-11-14-26(15-12-19)32(29,30)21-8-3-2-4-9-21/h2-9,16,19H,10-15,17H2,1H3,(H,24,28)(H,25,27)