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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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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)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S/c1-2-3-8-23-16-6-5-14(30(21,25)26)10-15(16)22-19(23)11-27-20(24)13-4-7-17-18(9-13)29-12-28-17/h4-7,9-10H,2-3,8,11-12H2,1H3,(H2,21,25,26)