6-[2,3-bis(fluoranyl)phenyl]-1-(1-methylsulfinylethenyl)-1-propan-2-ylsulfonyl-benzimidazol-1-ium-2-amine

Systemtic Name: 6-[2,3-bis(fluoranyl)phenyl]-1-(1-methylsulfinylethenyl)-1-propan-2-ylsulfonyl-benzimidazol-1-ium-2-amine Openeye Name: 6-(2,3-difluorophenyl)-1-isopropylsulfonyl-1-(1-methylsulfinylvinyl)benzimidazol-1-ium-2-amine CAS Name: 6-(2,3-difluorophenyl)-1-(1-methylsulfinylethenyl)-1-propan-2-ylsulfonyl-2-benzimidazol-1-iumamine IUPAC Name: 6-(2,3-difluorophenyl)-1-(1-methylsulfinylethenyl)-1-propan-2-ylsulfonylbenzimidazol-1-ium-2-amine Traditional Name: [6-(2,3-difluorophenyl)-1-isopropylsulfonyl-1-(1-methylsulfinylvinyl)benzimidazol-1-ium-2-yl]amine Formula: C19H20F2N3O3S2+ MolecularWeight: 440.507206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)[N+]1(C2=C(C=CC(=C2)C3=C(C(=CC=C3)F)F)N=C1N)C(=C)S(=O)C

Isomeric SMILES

CC(C)S(=O)(=O)[N+]1(C2=C(C=CC(=C2)C3=C(C(=CC=C3)F)F)N=C1N)C(=C)S(=O)C

InChI

InChI=1S/C19H20F2N3O3S2/c1-11(2)29(26,27)24(12(3)28(4)25)17-10-13(8-9-16(17)23-19(24)22)14-6-5-7-15(20)18(14)21/h5-11H,3H2,1-2,4H3,(H2,22,23)/q+1