[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C22H24FN3O7S MolecularWeight: 493.505263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)C

InChI

InChI=1S/C22H24FN3O7S/c1-14-8-15(2)12-25(11-14)34(31,32)18-5-3-4-16(9-18)22(28)33-13-21(27)24-20-10-17(26(29)30)6-7-19(20)23/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,24,27)