4-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethylsulfamoyl]benzoic acid

Systemtic Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethylsulfamoyl]benzoic acid Openeye Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethylsulfamoyl]benzoic acid CAS Name: 4-[2-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]ethylsulfamoyl]benzoic acid IUPAC Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethylsulfamoyl]benzoic acid Traditional Name: 4-[2-[4-(3-chlorophenyl)piperazino]sulfonylethylsulfamoyl]benzoic acid Formula: C19H22ClN3O6S2 MolecularWeight: 487.97748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H22ClN3O6S2/c20-16-2-1-3-17(14-16)22-9-11-23(12-10-22)30(26,27)13-8-21-31(28,29)18-6-4-15(5-7-18)19(24)25/h1-7,14,21H,8-13H2,(H,24,25)