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

Systemtic Name: (3S)-N-[3-[(2-methoxyphenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[3-(2-methoxyanilino)-3-oxo-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[3-(2-methoxyanilino)-3-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[3-(2-methoxyanilino)-3-oxopropyl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[3-keto-3-(o-anisidino)propyl]nipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-30-20-12-6-5-11-19(20)24-21(26)13-14-23-22(27)17-8-7-15-25(16-17)31(28,29)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3,(H,23,27)(H,24,26)/t17-/m0/s1