1-cyclohexyl-2-[3-(phenylsulfonyl)-2-(pyrrolidin-2-ylmethoxy)phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-(phenylsulfonyl)-2-(pyrrolidin-2-ylmethoxy)phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[3-(benzenesulfonyl)-2-(pyrrolidin-2-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-(benzenesulfonyl)-2-(2-pyrrolidinylmethoxy)phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-(benzenesulfonyl)-2-(pyrrolidin-2-ylmethoxy)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-besyl-2-(pyrrolidin-2-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C(=CC=C4)S(=O)(=O)C5=CC=CC=C5)OCC6CCCN6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C(=CC=C4)S(=O)(=O)C5=CC=CC=C5)OCC6CCCN6

InChI

InChI=1S/C31H33N3O5S/c35-31(36)21-16-17-27-26(19-21)33-30(34(27)23-10-3-1-4-11-23)25-14-7-15-28(29(25)39-20-22-9-8-18-32-22)40(37,38)24-12-5-2-6-13-24/h2,5-7,12-17,19,22-23,32H,1,3-4,8-11,18,20H2,(H,35,36)