5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-[ethyl(propyl)amino]-3-(trifluoromethyl)benzoic acid

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-[ethyl(propyl)amino]-3-(trifluoromethyl)benzoic acid Openeye Name: 5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-[ethyl(propyl)amino]-3-(trifluoromethyl)benzoic acid CAS Name: 5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-[ethyl(propyl)amino]-3-(trifluoromethyl)benzoic acid IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-[ethyl(propyl)amino]-3-(trifluoromethyl)benzoic acid Traditional Name: 5-(3,5-dimethylpiperidino)sulfonyl-2-[ethyl(propyl)amino]-3-(trifluoromethyl)benzoic acid Formula: C20H29F3N2O4S MolecularWeight: 450.51547

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC)C1=C(C=C(C=C1C(=O)O)S(=O)(=O)N2CC(CC(C2)C)C)C(F)(F)F

Isomeric SMILES

CCCN(CC)C1=C(C=C(C=C1C(=O)O)S(=O)(=O)N2CC(CC(C2)C)C)C(F)(F)F

InChI

InChI=1S/C20H29F3N2O4S/c1-5-7-24(6-2)18-16(19(26)27)9-15(10-17(18)20(21,22)23)30(28,29)25-11-13(3)8-14(4)12-25/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,26,27)