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

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-phenylsulfanylethanoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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)CSC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c1-4-12-24-19-11-10-17(30(26,27)23(2)3)13-18(19)22-20(24)14-28-21(25)15-29-16-8-6-5-7-9-16/h5-11,13H,4,12,14-15H2,1-3H3