(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3O4S2/c1-3-4-12-25-20-10-9-18(31(23,27)28)14-19(20)24-21(25)15-29-22(26)11-13-30-17-7-5-16(2)6-8-17/h5-10,14H,3-4,11-13,15H2,1-2H3,(H2,23,27,28)