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

Systemtic Name: 3-methyl-4-(4-methylpiperazin-1-yl)-2-sulfamoyl-benzoic acid Openeye Name: 3-methyl-4-(4-methylpiperazin-1-yl)-2-sulfamoyl-benzoic acid CAS Name: 3-methyl-4-(4-methyl-1-piperazinyl)-2-sulfamoylbenzoic acid IUPAC Name: 3-methyl-4-(4-methylpiperazin-1-yl)-2-sulfamoylbenzoic acid Traditional Name: 3-methyl-4-(4-methylpiperazino)-2-sulfamoyl-benzoic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)N)C(=O)O)N2CCN(CC2)C

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)N)C(=O)O)N2CCN(CC2)C

InChI

InChI=1S/C13H19N3O4S/c1-9-11(16-7-5-15(2)6-8-16)4-3-10(13(17)18)12(9)21(14,19)20/h3-4H,5-8H2,1-2H3,(H,17,18)(H2,14,19,20)