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

Systemtic Name: methyl 3-methoxy-4-[[5-morpholin-4-ylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-methoxy-4-[[5-morpholinosulfonyl-1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-methoxy-4-[[[5-(4-morpholinylsulfonyl)-1-(2-oxolanylmethyl)-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[[5-morpholin-4-ylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-methoxy-4-[[[5-morpholinosulfonyl-1-(tetrahydrofurfuryl)benzimidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C26H31N3O7S2 MolecularWeight: 561.67024

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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)N5CCOCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CSC2=NC3=C(N2CC4CCCO4)C=CC(=C3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H31N3O7S2/c1-33-24-14-18(25(30)34-2)5-6-19(24)17-37-26-27-22-15-21(38(31,32)28-9-12-35-13-10-28)7-8-23(22)29(26)16-20-4-3-11-36-20/h5-8,14-15,20H,3-4,9-13,16-17H2,1-2H3