2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]carbonylamino]ethyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]carbonylamino]ethyl 1,3-benzodioxole-5-carboxylate Openeye Name: 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]ethyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 2-[[[4-chloro-3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]ethyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]ethyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCOC(=O)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCOC(=O)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C21H23ClN2O7S/c1-3-24(4-2)32(27,28)19-12-14(5-7-16(19)22)20(25)23-9-10-29-21(26)15-6-8-17-18(11-15)31-13-30-17/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,23,25)