[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C22H25N3O8S/c1-13-4-9-19(10-14(13)2)34(31,32)24-12-18(26)11-20(24)22(28)33-15(3)21(27)23-16-5-7-17(8-6-16)25(29)30/h4-10,15,18,20,26H,11-12H2,1-3H3,(H,23,27)