2-[(E)-2-(3-bromophenyl)ethenyl]-1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-benzimidazole

Systemtic Name: 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-benzimidazole Openeye Name: 2-[(E)-2-(3-bromophenyl)vinyl]-1-(4-fluoro-3-methyl-phenyl)sulfonyl-benzimidazole CAS Name: 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(4-fluoro-3-methylphenyl)sulfonylbenzimidazole IUPAC Name: 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(4-fluoro-3-methylphenyl)sulfonylbenzimidazole Traditional Name: 2-[(E)-2-(3-bromophenyl)vinyl]-1-(4-fluoro-3-methyl-phenyl)sulfonyl-benzimidazole Formula: C22H16BrFN2O2S MolecularWeight: 471.342043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2C=CC4=CC(=CC=C4)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2/C=C/C4=CC(=CC=C4)Br)F

InChI

InChI=1S/C22H16BrFN2O2S/c1-15-13-18(10-11-19(15)24)29(27,28)26-21-8-3-2-7-20(21)25-22(26)12-9-16-5-4-6-17(23)14-16/h2-14H,1H3/b12-9+