[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O7S MolecularWeight: 488.55332

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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)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O[C@H](C)C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H28N2O7S/c1-15-4-7-22(16(2)12-15)34(29,30)26-10-8-18(9-11-26)24(28)33-17(3)23(27)25-19-5-6-20-21(13-19)32-14-31-20/h4-7,12-13,17-18H,8-11,14H2,1-3H3,(H,25,27)/t17-/m1/s1