[4-[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

Systemtic Name: [4-[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Openeye Name: [4-[[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide CAS Name: [4-[[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]amino]phenyl]sulfonyl-(4-methyl-2-pyrimidinyl)azanide IUPAC Name: [4-[[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Traditional Name: [4-[[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Formula: C21H20N6O4S2 MolecularWeight: 484.5513

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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=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=[NH+]C4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C21H20N6O4S2/c1-13-9-10-22-20(23-13)27-33(29,30)16-6-3-14(4-7-16)24-19(28)12-32-21-25-17-8-5-15(31-2)11-18(17)26-21/h3-11H,12H2,1-2H3,(H3,22,23,24,25,26,27,28)