(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CSC3=CC=CC=C3C

InChI

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