(3S)-N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[2-(4-methoxyanilino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[2-keto-2-(p-anisidino)ethyl]nipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-29-18-11-9-17(10-12-18)23-20(25)14-22-21(26)16-6-5-13-24(15-16)30(27,28)19-7-3-2-4-8-19/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1