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

Systemtic Name: 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethylsulfamoyl]benzoic acid Openeye Name: 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethylsulfamoyl]benzoic acid CAS Name: 4-[2-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]ethylsulfamoyl]benzoic acid IUPAC Name: 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethylsulfamoyl]benzoic acid Traditional Name: 4-[2-[4-(4-methoxyphenyl)piperazino]sulfonylethylsulfamoyl]benzoic acid Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7S2/c1-30-18-6-4-17(5-7-18)22-11-13-23(14-12-22)31(26,27)15-10-21-32(28,29)19-8-2-16(3-9-19)20(24)25/h2-9,21H,10-15H2,1H3,(H,24,25)