3-(3-methylpiperidin-1-yl)sulfonyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-(3-methylpiperidin-1-yl)sulfonyl-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[(3-methyl-1-piperidyl)sulfonyl]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[(3-methyl-1-piperidinyl)sulfonyl]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-(3-methylpiperidin-1-yl)sulfonyl-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(3-methylpiperidino)sulfonyl-5-(trifluoromethyl)benzoic acid Formula: C14H16F3NO4S MolecularWeight: 351.34135

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H16F3NO4S/c1-9-3-2-4-18(8-9)23(21,22)12-6-10(13(19)20)5-11(7-12)14(15,16)17/h5-7,9H,2-4,8H2,1H3,(H,19,20)