(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H22ClN3O4S2 MolecularWeight: 467.98938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4S2/c1-3-4-9-24-18-8-6-14(30(22,26)27)11-17(18)23-19(24)12-28-20(25)15-10-13(29-2)5-7-16(15)21/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,22,26,27)