[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O[C@H](C)C(=O)NCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H32N2O6S/c1-17-5-10-23(18(2)15-17)34(30,31)27-13-11-21(12-14-27)25(29)33-19(3)24(28)26-16-20-6-8-22(32-4)9-7-20/h5-10,15,19,21H,11-14,16H2,1-4H3,(H,26,28)/t19-/m1/s1