3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(2,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O)OC

InChI

InChI=1S/C20H22N2O7S/c1-28-16-6-7-18(17(13-16)29-2)30(26,27)22-10-8-21(9-11-22)19(23)14-4-3-5-15(12-14)20(24)25/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)