[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-thiophen-2-ylbutanoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-thiophen-2-ylbutanoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCCC3=CC=CS3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H27N3O4S2/c1-4-12-24-19-11-10-17(30(26,27)23(2)3)14-18(19)22-20(24)15-28-21(25)9-5-7-16-8-6-13-29-16/h6,8,10-11,13-14H,4-5,7,9,12,15H2,1-3H3