3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O6S/c1-14-6-7-17(28-2)18(12-14)29(26,27)22-10-8-21(9-11-22)19(23)15-4-3-5-16(13-15)20(24)25/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)