ethyl 2-methyl-7-[[2-(phenylsulfonylmethyl)phenyl]methyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-methyl-7-[[2-(phenylsulfonylmethyl)phenyl]methyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 7-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-methyl-3H-benzimidazole-5-carboxylate CAS Name: 7-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-methyl-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[[2-(benzenesulfonylmethyl)phenyl]methyl]-2-methyl-3H-benzimidazole-5-carboxylate Traditional Name: 7-[2-(besylmethyl)benzyl]-2-methyl-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1)NC(=N2)C)CC3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1)NC(=N2)C)CC3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-3-31-25(28)21-14-20(24-23(15-21)26-17(2)27-24)13-18-9-7-8-10-19(18)16-32(29,30)22-11-5-4-6-12-22/h4-12,14-15H,3,13,16H2,1-2H3,(H,26,27)