(3S)-N-[3-[(2-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-[(2-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)methylamino]-3-oxo-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[3-keto-3-(o-anisylamino)propyl]nipecotamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-31-21-12-6-5-8-18(21)16-25-22(27)13-14-24-23(28)19-9-7-15-26(17-19)32(29,30)20-10-3-2-4-11-20/h2-6,8,10-12,19H,7,9,13-17H2,1H3,(H,24,28)(H,25,27)/t19-/m0/s1