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

Systemtic Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Traditional Name: 4-[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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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