[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(ethylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(ethylsulfamoyl)benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(ethylsulfamoyl)benzoate CAS Name: 3-(ethylsulfamoyl)benzoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(ethylsulfamoyl)benzoate Traditional Name: 3-(ethylsulfamoyl)benzoic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)O[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O7S/c1-3-22-30(25,26)16-6-4-5-15(10-16)20(24)29-13(2)19(23)21-11-14-7-8-17-18(9-14)28-12-27-17/h4-10,13,22H,3,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1