5-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 5-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid Formula: C22H27N3O8S MolecularWeight: 493.53008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C22H27N3O8S/c1-4-33-22(28)25-11-9-24(10-12-25)18-7-5-15(13-17(18)21(26)27)23-34(29,30)16-6-8-19(31-2)20(14-16)32-3/h5-8,13-14,23H,4,9-12H2,1-3H3,(H,26,27)