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

Systemtic Name: 2-[4-[[5-(4-chlorophenyl)-2-methoxy-phenyl]methylsulfonyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[5-(4-chlorophenyl)-2-methoxy-phenyl]methylsulfonyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[5-(4-chlorophenyl)-2-methoxyphenyl]methylsulfonyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[5-(4-chlorophenyl)-2-methoxyphenyl]methylsulfonyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[5-(4-chlorophenyl)-2-methoxy-benzyl]sulfonylphenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C34H31ClN2O5S MolecularWeight: 615.13834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C34H31ClN2O5S/c1-42-32-18-12-24(22-7-13-27(35)14-8-22)19-26(32)21-43(40,41)29-15-9-23(10-16-29)33-36-30-20-25(34(38)39)11-17-31(30)37(33)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,38,39)