[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]propanoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]propionic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H21FN2O7S MolecularWeight: 452.453343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)OC(C)C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O7S/c1-12(23-31(26,27)16-6-4-15(21)5-7-16)20(25)30-13(2)19(24)22-10-14-3-8-17-18(9-14)29-11-28-17/h3-9,12-13,23H,10-11H2,1-2H3,(H,22,24)