[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H25FN2O7S MolecularWeight: 480.506503

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)F

InChI

InChI=1S/C22H25FN2O7S/c1-4-25(5-2)33(28,29)20-11-16(7-8-17(20)23)22(27)32-14(3)21(26)24-12-15-6-9-18-19(10-15)31-13-30-18/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,26)