5-[(2-chlorophenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(2-chlorophenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(2-chlorophenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 5-[(2-chlorophenyl)sulfonylamino]-2-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(2-chlorophenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(2-chlorophenyl)sulfonylamino]benzoic acid Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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=CC=C3Cl)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C20H22ClN3O6S/c1-2-30-20(27)24-11-9-23(10-12-24)17-8-7-14(13-15(17)19(25)26)22-31(28,29)18-6-4-3-5-16(18)21/h3-8,13,22H,2,9-12H2,1H3,(H,25,26)