3-[bis(phenylmethyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid hydrochloride

Systemtic Name: 3-[bis(phenylmethyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid hydrochloride Openeye Name: 3-(dibenzylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid hydrochloride CAS Name: 3-[bis(phenylmethyl)sulfamoyl]-4-(4-methyl-1-piperazinyl)benzoic acid hydrochloride IUPAC Name: 3-(dibenzylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid hydrochloride Traditional Name: 3-(dibenzylsulfamoyl)-4-(4-methylpiperazino)benzoic acid hydrochloride Formula: C26H30ClN3O4S MolecularWeight: 516.0521

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C26H29N3O4S.ClH/c1-27-14-16-28(17-15-27)24-13-12-23(26(30)31)18-25(24)34(32,33)29(19-21-8-4-2-5-9-21)20-22-10-6-3-7-11-22;/h2-13,18H,14-17,19-20H2,1H3,(H,30,31);1H