[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (2R)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R)-1-tosylpipecolinic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C24H29N3O6S/c1-16-7-13-21(14-8-16)34(31,32)27-15-5-4-6-22(27)24(30)33-17(2)23(29)26-20-11-9-19(10-12-20)25-18(3)28/h7-14,17,22H,4-6,15H2,1-3H3,(H,25,28)(H,26,29)/t17-,22+/m0/s1