5-bromanyl-2-fluoranyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-[(4-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 5-bromo-2-fluoro-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 5-bromo-2-fluoro-3-(4-methylpiperidino)sulfonyl-benzoic acid Formula: C13H15BrFNO4S MolecularWeight: 380.229903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrFNO4S/c1-8-2-4-16(5-3-8)21(19,20)11-7-9(14)6-10(12(11)15)13(17)18/h6-8H,2-5H2,1H3,(H,17,18)