2-fluoranyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-fluoranyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-fluoro-5-[(4-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-fluoro-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-fluoro-5-(4-methylpiperidino)sulfonyl-benzoic acid Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C13H16FNO4S/c1-9-4-6-15(7-5-9)20(18,19)10-2-3-12(14)11(8-10)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)