[3-azanyl-3-(2-methylsulfonylpyrimidin-4-yl)benzimidazol-3-ium-5-yl]-phenyl-methanone

Systemtic Name: [3-azanyl-3-(2-methylsulfonylpyrimidin-4-yl)benzimidazol-3-ium-5-yl]-phenyl-methanone Openeye Name: [3-amino-3-(2-methylsulfonylpyrimidin-4-yl)benzimidazol-3-ium-5-yl]-phenyl-methanone CAS Name: [3-amino-3-(2-methylsulfonyl-4-pyrimidinyl)-5-benzimidazol-3-iumyl]-phenylmethanone IUPAC Name: [3-amino-3-(2-methylsulfonylpyrimidin-4-yl)benzimidazol-3-ium-5-yl]-phenylmethanone Traditional Name: [3-amino-3-(2-mesylpyrimidin-4-yl)benzimidazol-3-ium-5-yl]-phenyl-methanone Formula: C19H16N5O3S+ MolecularWeight: 394.42704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=CC(=N1)[N+]2(C=NC3=C2C=C(C=C3)C(=O)C4=CC=CC=C4)N

Isomeric SMILES

CS(=O)(=O)C1=NC=CC(=N1)[N+]2(C=NC3=C2C=C(C=C3)C(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C19H16N5O3S/c1-28(26,27)19-21-10-9-17(23-19)24(20)12-22-15-8-7-14(11-16(15)24)18(25)13-5-3-2-4-6-13/h2-12H,20H2,1H3/q+1