methyl 3-methoxy-4-[[1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[[1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-methoxy-4-[[5-pyrrolidin-1-ylsulfonyl-1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-methoxy-4-[[[1-(2-oxolanylmethyl)-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[[1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-methoxy-4-[[[5-pyrrolidinosulfonyl-1-(tetrahydrofurfuryl)benzimidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CSC2=NC3=C(N2CC4CCCO4)C=CC(=C3)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CSC2=NC3=C(N2CC4CCCO4)C=CC(=C3)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H31N3O6S2/c1-33-24-14-18(25(30)34-2)7-8-19(24)17-36-26-27-22-15-21(37(31,32)28-11-3-4-12-28)9-10-23(22)29(26)16-20-6-5-13-35-20/h7-10,14-15,20H,3-6,11-13,16-17H2,1-2H3