1-(5-bromo-4-methanesulfonyl-2-methylphenyl)piperidine-3-carboxylic acid

CAS: 1000018-36-9

Formula: C14H18BrNO4S

SMILES: CC1=C(C=C(Br)C(=C1)S(C)(=O)=O)N1CCCC(C1)C(O)=O

IUPAC: 1-(5-bromo-4-methanesulfonyl-2-methylphenyl)piperidine-3-carboxylic acid

InChI: InChI=1/C14H18BrNO4S/c1-9-6-13(21(2,19)20)11(15)7-12(9)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)

Composition: C (44.69%), H (4.82%), Br (21.24%), N (3.72%), O (17.01%), S (8.52%)

Molar Mass: 376.27

Atom Count: 39

Heavy Atom Count: 21