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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzofurazan-4-sulfonamide Formula: C17H20N5O5S2+ MolecularWeight: 438.5012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5S2/c1-21-9-11-22(12-10-21)29(25,26)14-7-5-13(6-8-14)20-28(23,24)16-4-2-3-15-17(16)19-27-18-15/h2-8,20H,9-12H2,1H3/p+1