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

Systemtic Name: 3-fluoranyl-4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-fluoro-4-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-fluoro-4-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid Formula: C14H18FNO4S MolecularWeight: 315.360423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=CC(=C2C)F)C(=O)O

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=CC(=C2C)F)C(=O)O

InChI

InChI=1S/C14H18FNO4S/c1-9-5-3-4-6-16(9)21(19,20)13-8-11(14(17)18)7-12(15)10(13)2/h7-9H,3-6H2,1-2H3,(H,17,18)