[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoic acid [(1S)-2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C24H23N3O7S MolecularWeight: 497.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C24H23N3O7S/c1-15-6-4-5-7-21(15)25-23(28)17(3)34-24(29)18-9-11-19(12-10-18)26-35(32,33)22-14-20(27(30)31)13-8-16(22)2/h4-14,17,26H,1-3H3,(H,25,28)/t17-/m0/s1