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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

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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=CC=C3Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCSC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O4S2/c1-2-3-11-25-18-9-8-15(31(23,27)28)13-17(18)24-20(25)14-29-21(26)10-12-30-19-7-5-4-6-16(19)22/h4-9,13H,2-3,10-12,14H2,1H3,(H2,23,27,28)