[4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

Systemtic Name: [4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Openeye Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide CAS Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]amino]phenyl]sulfonyl-(4-methyl-2-pyrimidinyl)azanide IUPAC Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Traditional Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C20H18N6O3S2/c1-13-10-11-21-19(22-13)26-31(28,29)15-8-6-14(7-9-15)23-18(27)12-30-20-24-16-4-2-3-5-17(16)25-20/h2-11H,12H2,1H3,(H3,21,22,23,24,25,26,27)