3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-fluoranyl-6-piperidin-1-yl-benzoic acid

Systemtic Name: 3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-fluoranyl-6-piperidin-1-yl-benzoic acid Openeye Name: 3-[(4,4-dimethyl-1-piperidyl)sulfonyl]-2-fluoro-6-(1-piperidyl)benzoic acid CAS Name: 3-[(4,4-dimethyl-1-piperidinyl)sulfonyl]-2-fluoro-6-(1-piperidinyl)benzoic acid IUPAC Name: 3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-6-piperidin-1-ylbenzoic acid Traditional Name: 3-(4,4-dimethylpiperidino)sulfonyl-2-fluoro-6-piperidino-benzoic acid Formula: C19H27FN2O4S MolecularWeight: 398.492083

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)N3CCCCC3)C(=O)O)F)C

Isomeric SMILES

CC1(CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)N3CCCCC3)C(=O)O)F)C

InChI

InChI=1S/C19H27FN2O4S/c1-19(2)8-12-22(13-9-19)27(25,26)15-7-6-14(16(17(15)20)18(23)24)21-10-4-3-5-11-21/h6-7H,3-5,8-13H2,1-2H3,(H,23,24)