butyl 2-[5-(diethylsulfamoyl)-1-propan-2-yl-benzimidazol-2-yl]sulfanylpropanoate

Systemtic Name: butyl 2-[5-(diethylsulfamoyl)-1-propan-2-yl-benzimidazol-2-yl]sulfanylpropanoate Openeye Name: butyl 2-[5-(diethylsulfamoyl)-1-isopropyl-benzimidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[5-(diethylsulfamoyl)-1-propan-2-yl-2-benzimidazolyl]thio]propanoic acid butyl ester IUPAC Name: butyl 2-[5-(diethylsulfamoyl)-1-propan-2-ylbenzimidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[5-(diethylsulfamoyl)-1-isopropyl-benzimidazol-2-yl]thio]propionic acid butyl ester Formula: C21H33N3O4S2 MolecularWeight: 455.63442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)SC1=NC2=C(N1C(C)C)C=CC(=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCCCOC(=O)C(C)SC1=NC2=C(N1C(C)C)C=CC(=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C21H33N3O4S2/c1-7-10-13-28-20(25)16(6)29-21-22-18-14-17(30(26,27)23(8-2)9-3)11-12-19(18)24(21)15(4)5/h11-12,14-16H,7-10,13H2,1-6H3