[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C24H18FN3O4S MolecularWeight: 463.480823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)OC)/C#N

InChI

InChI=1S/C24H18FN3O4S/c1-15-3-9-20-21(11-15)28-24(27-20)17(14-26)12-16-4-10-22(23(13-16)31-2)32-33(29,30)19-7-5-18(25)6-8-19/h3-13H,1-2H3,(H,27,28)/b17-12+