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

Systemtic Name: 4-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethylsulfamoyl]benzoic acid Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)sulfonylethylsulfamoyl]benzoic acid CAS Name: 4-[2-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]ethylsulfamoyl]benzoic acid IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)sulfonylethylsulfamoyl]benzoic acid Traditional Name: 4-[2-(4-benzylpiperazino)sulfonylethylsulfamoyl]benzoic acid Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H25N3O6S2/c24-20(25)18-6-8-19(9-7-18)31(28,29)21-10-15-30(26,27)23-13-11-22(12-14-23)16-17-4-2-1-3-5-17/h1-9,21H,10-16H2,(H,24,25)