3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-5-(trifluoromethyl)benzoic acid Formula: C15H18F3NO4S MolecularWeight: 365.36793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3NO4S/c1-9-3-10(2)8-19(7-9)24(22,23)13-5-11(14(20)21)4-12(6-13)15(16,17)18/h4-6,9-10H,3,7-8H2,1-2H3,(H,20,21)