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

Systemtic Name: N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]nipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-16-10-11-20(30-2)19(13-16)24-21(26)14-23-22(27)17-7-6-12-25(15-17)31(28,29)18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14-15H2,1-2H3,(H,23,27)(H,24,26)