butyl 2-[1-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl]sulfanylpropanoate

Systemtic Name: butyl 2-[1-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl]sulfanylpropanoate Openeye Name: butyl 2-[1-(3-morpholinopropyl)-5-morpholinosulfonyl-benzimidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[1-[3-(4-morpholinyl)propyl]-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]propanoic acid butyl ester IUPAC Name: butyl 2-[1-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylbenzimidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[1-(3-morpholinopropyl)-5-morpholinosulfonyl-benzimidazol-2-yl]thio]propionic acid butyl ester Formula: C25H38N4O6S2 MolecularWeight: 554.72242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)SC1=NC2=C(N1CCCN3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCCOC(=O)C(C)SC1=NC2=C(N1CCCN3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H38N4O6S2/c1-3-4-14-35-24(30)20(2)36-25-26-22-19-21(37(31,32)28-12-17-34-18-13-28)6-7-23(22)29(25)9-5-8-27-10-15-33-16-11-27/h6-7,19-20H,3-5,8-18H2,1-2H3