[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C22H23FN2O7S MolecularWeight: 478.490623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H23FN2O7S/c1-14-5-6-15(2)19(11-14)33(30,31)22(9-3-4-10-22)21(27)32-13-20(26)24-16-7-8-17(23)18(12-16)25(28)29/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,26)