[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24FN3O7S MolecularWeight: 493.505263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H24FN3O7S/c1-14-5-3-4-12-25(14)34(31,32)18-9-6-16(7-10-18)22(28)33-15(2)21(27)24-17-8-11-19(23)20(13-17)26(29)30/h6-11,13-15H,3-5,12H2,1-2H3,(H,24,27)