2-[4-[[2-(4-chlorophenyl)-5-[ethyl(ethylsulfonyl)amino]phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-5-[ethyl(ethylsulfonyl)amino]phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)-5-[ethyl(ethylsulfonyl)amino]phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-[ethyl(ethylsulfonyl)amino]phenyl]methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-5-[ethyl(ethylsulfonyl)amino]phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-[esyl(ethyl)amino]benzyl]oxy-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C37H37ClFN3O5S MolecularWeight: 690.223183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)COC3=CC(=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)F)S(=O)(=O)CC

Isomeric SMILES

CCN(C1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)COC3=CC(=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)F)S(=O)(=O)CC

InChI

InChI=1S/C37H37ClFN3O5S/c1-3-41(48(45,46)4-2)29-15-17-31(24-10-13-27(38)14-11-24)26(20-29)23-47-30-16-18-32(33(39)22-30)36-40-34-21-25(37(43)44)12-19-35(34)42(36)28-8-6-5-7-9-28/h10-22,28H,3-9,23H2,1-2H3,(H,43,44)