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

Systemtic Name: 3-[methyl-(phenylmethyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-[benzyl(methyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-[methyl-(phenylmethyl)sulfamoyl]-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[benzyl(methyl)sulfamoyl]-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 3-[benzyl(methyl)sulfamoyl]-4-(4-methylpiperazino)benzoic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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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(C)CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N(C)CC3=CC=CC=C3

InChI

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