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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O6S/c1-16-4-10-22(11-5-16)34(31,32)27-14-12-19(13-15-27)24(30)33-17(2)23(29)26-21-8-6-20(7-9-21)25-18(3)28/h4-11,17,19H,12-15H2,1-3H3,(H,25,28)(H,26,29)/t17-/m1/s1