[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C25H22N2O6S/c1-16-8-9-17(2)23(14-16)34(30,31)33-21-12-10-19(11-13-21)25(29)32-18(3)24(28)27-22-7-5-4-6-20(22)15-26/h4-14,18H,1-3H3,(H,27,28)/t18-/m1/s1