N-[(2S)-1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(3,5-dimethylanilino)-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(3,5-dimethylanilino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C24H31N3O4S/c1-16-5-7-22(8-6-16)32(30,31)27-11-9-20(10-12-27)24(29)25-19(4)23(28)26-21-14-17(2)13-18(3)15-21/h5-8,13-15,19-20H,9-12H2,1-4H3,(H,25,29)(H,26,28)/t19-/m0/s1