2-methyl-4-(4-methylpiperazin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-5-sulfamoylbenzoic acid IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 2-methyl-4-(4-methylpiperazino)-5-sulfamoyl-benzoic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)N2CCN(CC2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)N2CCN(CC2)C

InChI

InChI=1S/C13H19N3O4S/c1-9-7-11(16-5-3-15(2)4-6-16)12(21(14,19)20)8-10(9)13(17)18/h7-8H,3-6H2,1-2H3,(H,17,18)(H2,14,19,20)