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

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoranyl-2-piperidin-1-yl-benzoic acid Openeye Name: 5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-fluoro-2-(1-piperidyl)benzoic acid CAS Name: 5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-fluoro-2-(1-piperidinyl)benzoic acid IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-piperidin-1-ylbenzoic acid Traditional Name: 5-(3,5-dimethylpiperidino)sulfonyl-3-fluoro-2-piperidino-benzoic acid Formula: C19H27FN2O4S MolecularWeight: 398.492083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)O)N3CCCCC3)F)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)O)N3CCCCC3)F)C

InChI

InChI=1S/C19H27FN2O4S/c1-13-8-14(2)12-22(11-13)27(25,26)15-9-16(19(23)24)18(17(20)10-15)21-6-4-3-5-7-21/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,23,24)