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

Systemtic Name: 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4S/c1-9-4-6-15(7-5-9)20(18,19)12-8-10(13(16)17)2-3-11(12)14/h2-3,8-9H,4-7H2,1H3,(H,16,17)