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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-sulfamoyl-benzoic acid Openeye Name: 4-(4-methylpiperazin-1-yl)-3-sulfamoyl-benzoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-3-sulfamoylbenzoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzoic acid Traditional Name: 4-(4-methylpiperazino)-3-sulfamoyl-benzoic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C12H17N3O4S/c1-14-4-6-15(7-5-14)10-3-2-9(12(16)17)8-11(10)20(13,18)19/h2-3,8H,4-7H2,1H3,(H,16,17)(H2,13,18,19)