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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C13H15BrFNO4S/c1-8-3-2-4-16(7-8)21(19,20)11-6-9(14)5-10(12(11)15)13(17)18/h5-6,8H,2-4,7H2,1H3,(H,17,18)