[4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

Systemtic Name: [4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Openeye Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide CAS Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]amino]phenyl]sulfonyl-(4,6-dimethyl-2-pyrimidinyl)azanide IUPAC Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Traditional Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H20N6O3S2/c1-13-11-14(2)23-20(22-13)27-32(29,30)16-9-7-15(8-10-16)24-19(28)12-31-21-25-17-5-3-4-6-18(17)26-21/h3-11H,12H2,1-2H3,(H3,22,23,24,25,26,27,28)