[3-(trifluoromethyl)phenyl]methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C22H24F3NO4S MolecularWeight: 455.49047

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C22H24F3NO4S/c1-15-10-16(2)13-26(12-15)31(28,29)20-8-6-18(7-9-20)21(27)30-14-17-4-3-5-19(11-17)22(23,24)25/h3-9,11,15-16H,10,12-14H2,1-2H3