[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-ethylsulfanylbenzoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-ethylsulfanylbenzoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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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)C3=CC=CC=C3SCC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=CC=CC=C3SCC

InChI

InChI=1S/C22H27N3O4S2/c1-5-13-25-19-12-11-16(31(27,28)24(3)4)14-18(19)23-21(25)15-29-22(26)17-9-7-8-10-20(17)30-6-2/h7-12,14H,5-6,13,15H2,1-4H3