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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C4)C

InChI

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