4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-(2,4-dimethoxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-(2,4-dimethoxyphenyl)piperazino]sulfonylbenzoic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-26-15-5-8-17(18(13-15)27-2)20-9-11-21(12-10-20)28(24,25)16-6-3-14(4-7-16)19(22)23/h3-8,13H,9-12H2,1-2H3,(H,22,23)