ethyl 2-methyl-3-[1-phenyl-2-(phenylsulfonyl)ethyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-methyl-3-[1-phenyl-2-(phenylsulfonyl)ethyl]benzimidazole-5-carboxylate Openeye Name: ethyl 3-[2-(benzenesulfonyl)-1-phenyl-ethyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[2-(benzenesulfonyl)-1-phenylethyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(benzenesulfonyl)-1-phenylethyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(2-besyl-1-phenyl-ethyl)-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(N2C(CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2C(CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

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