N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]benzofurazan-4-sulfonamide Formula: C18H22N5O3S+ MolecularWeight: 388.46398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C18H21N5O3S/c1-22-9-11-23(12-10-22)15-7-5-14(6-8-15)13-19-27(24,25)17-4-2-3-16-18(17)21-26-20-16/h2-8,19H,9-13H2,1H3/p+1