[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesitylsulfonylpyrrolidine-2-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O7S/c1-14-11-15(2)21(16(3)12-14)33(30,31)24-10-6-9-19(24)22(27)32-13-20(26)23-17-7-4-5-8-18(17)25(28)29/h4-5,7-8,11-12,19H,6,9-10,13H2,1-3H3,(H,23,26)