(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H20ClN3O6S MolecularWeight: 465.9073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H20ClN3O6S/c1-2-3-6-24-16-5-4-13(31(22,26)27)9-15(16)23-18(24)10-28-20(25)12-7-14(21)19-17(8-12)29-11-30-19/h4-5,7-9H,2-3,6,10-11H2,1H3,(H2,22,26,27)