3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-N-(4-methyl-1-piperazin-4-iumyl)-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: 3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1,3-benzoxazole-6-sulfonamide Formula: C13H19N4O4S+ MolecularWeight: 327.37936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

Isomeric SMILES

C[NH+]1CCN(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

InChI

InChI=1S/C13H18N4O4S/c1-15-5-7-17(8-6-15)14-22(19,20)10-3-4-11-12(9-10)21-13(18)16(11)2/h3-4,9,14H,5-8H2,1-2H3/p+1