(7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H23ClN2O7S/c1-23(2)32(26,27)15-3-4-18(24-5-7-28-8-6-24)16(11-15)21(25)29-12-14-9-17(22)20-19(10-14)30-13-31-20/h3-4,9-11H,5-8,12-13H2,1-2H3