N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]-1-tosyl-isonipecotamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3O4S/c1-16-4-8-20(9-5-16)25-22(27)18(3)24-23(28)19-12-14-26(15-13-19)31(29,30)21-10-6-17(2)7-11-21/h4-11,18-19H,12-15H2,1-3H3,(H,24,28)(H,25,27)/t18-/m0/s1