3-(dimethylsulfamoyl)-4-[4-(phenylmethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-(dimethylsulfamoyl)-4-[4-(phenylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-(dimethylsulfamoyl)benzoic acid CAS Name: 3-(dimethylsulfamoyl)-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-(dimethylsulfamoyl)benzoic acid Traditional Name: 4-(4-benzylpiperazino)-3-(dimethylsulfamoyl)benzoic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-21(2)28(26,27)19-14-17(20(24)25)8-9-18(19)23-12-10-22(11-13-23)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,24,25)