2-[(2,3-dimethoxyphenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-1-(tetrahydrofuran-2-ylmethyl)benzimidazole CAS Name: 2-[(2,3-dimethoxyphenyl)methylthio]-1-(2-oxolanylmethyl)-5-(1-pyrrolidinylsulfonyl)benzimidazole IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzimidazole Traditional Name: 2-(o-veratrylthio)-5-pyrrolidinosulfonyl-1-(tetrahydrofurfuryl)benzimidazole Formula: C25H31N3O5S2 MolecularWeight: 517.66074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CSC2=NC3=C(N2CC4CCCO4)C=CC(=C3)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1OC)CSC2=NC3=C(N2CC4CCCO4)C=CC(=C3)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H31N3O5S2/c1-31-23-9-5-7-18(24(23)32-2)17-34-25-26-21-15-20(35(29,30)27-12-3-4-13-27)10-11-22(21)28(25)16-19-8-6-14-33-19/h5,7,9-11,15,19H,3-4,6,8,12-14,16-17H2,1-2H3