butyl 2-[1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl]sulfanylpropanoate

Systemtic Name: butyl 2-[1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl]sulfanylpropanoate Openeye Name: butyl 2-[5-pyrrolidin-1-ylsulfonyl-1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[1-(2-oxolanylmethyl)-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]thio]propanoic acid butyl ester IUPAC Name: butyl 2-[1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[5-pyrrolidinosulfonyl-1-(tetrahydrofurfuryl)benzimidazol-2-yl]thio]propionic acid butyl ester Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)SC1=NC2=C(N1CC3CCCO3)C=CC(=C2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCCCOC(=O)C(C)SC1=NC2=C(N1CC3CCCO3)C=CC(=C2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H33N3O5S2/c1-3-4-13-31-22(27)17(2)32-23-24-20-15-19(33(28,29)25-11-5-6-12-25)9-10-21(20)26(23)16-18-8-7-14-30-18/h9-10,15,17-18H,3-8,11-14,16H2,1-2H3