[4-[3-(trifluoromethyl)piperidin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[3-(trifluoromethyl)piperidin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[3-(trifluoromethyl)-1-piperidinyl]methyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl] ester Formula: C19H17F3N2O6S MolecularWeight: 458.40829

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H17F3N2O6S/c20-19(21,22)14-3-2-10-23(12-14)18(25)13-6-8-16(9-7-13)30-31(28,29)17-5-1-4-15(11-17)24(26)27/h1,4-9,11,14H,2-3,10,12H2