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

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-5-[methyl(methylsulfonyl)amino]phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)-5-[methyl(methylsulfonyl)amino]phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-[methyl(methylsulfonyl)amino]phenyl]methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-5-[methyl(methylsulfonyl)amino]phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-[mesyl(methyl)amino]benzyl]oxy-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C35H33ClFN3O5S MolecularWeight: 662.170023

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Descriptors Computed from Structure

Canonical SMILES:

CN(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)C

Isomeric SMILES

CN(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)C

InChI

InChI=1S/C35H33ClFN3O5S/c1-39(46(2,43)44)27-13-15-29(22-8-11-25(36)12-9-22)24(18-27)21-45-28-14-16-30(31(37)20-28)34-38-32-19-23(35(41)42)10-17-33(32)40(34)26-6-4-3-5-7-26/h8-20,26H,3-7,21H2,1-2H3,(H,41,42)