2-(diethylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoranyl-benzoic acid

Systemtic Name: 2-(diethylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoranyl-benzoic acid Openeye Name: 2-(diethylamino)-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-fluoro-benzoic acid CAS Name: 2-(diethylamino)-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-fluorobenzoic acid IUPAC Name: 2-(diethylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorobenzoic acid Traditional Name: 2-(diethylamino)-5-(3,5-dimethylpiperidino)sulfonyl-3-fluoro-benzoic acid Formula: C18H27FN2O4S MolecularWeight: 386.481383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN2O4S/c1-5-20(6-2)17-15(18(22)23)8-14(9-16(17)19)26(24,25)21-10-12(3)7-13(4)11-21/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,23)