methyl 4-(1H-benzimidazol-2-yl)-2-cyano-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(1H-benzimidazol-2-yl)-2-cyano-5-methylsulfonyl-benzoate Openeye Name: methyl 4-(1H-benzimidazol-2-yl)-2-cyano-5-methylsulfonyl-benzoate CAS Name: 4-(1H-benzimidazol-2-yl)-2-cyano-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(1H-benzimidazol-2-yl)-2-cyano-5-methylsulfonylbenzoate Traditional Name: 4-(1H-benzimidazol-2-yl)-2-cyano-5-mesyl-benzoic acid methyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#N)C2=NC3=CC=CC=C3N2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#N)C2=NC3=CC=CC=C3N2)S(=O)(=O)C

InChI

InChI=1S/C17H13N3O4S/c1-24-17(21)11-8-15(25(2,22)23)12(7-10(11)9-18)16-19-13-5-3-4-6-14(13)20-16/h3-8H,1-2H3,(H,19,20)