2-[3-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-(4-methylsulfonylphenyl)sulfonyl-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-(4-methylsulfonylphenyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-[1-(4-mesylphenyl)sulfonyl-3-piperidyl]phenyl]acetic acid Formula: C20H23NO6S2 MolecularWeight: 437.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C20H23NO6S2/c1-28(24,25)18-7-9-19(10-8-18)29(26,27)21-11-3-6-17(14-21)16-5-2-4-15(12-16)13-20(22)23/h2,4-5,7-10,12,17H,3,6,11,13-14H2,1H3,(H,22,23)