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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)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] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O7S/c1-13(20(25)22-11-14-5-6-17-18(9-14)29-12-28-17)30-19(24)7-8-23-31(26,27)16-4-2-3-15(21)10-16/h2-6,9-10,13,23H,7-8,11-12H2,1H3,(H,22,25)