[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C19H19NO7S MolecularWeight: 405.42166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19NO7S/c1-28(23,24)11-14-3-2-4-15(7-14)19(22)25-10-18(21)20-9-13-5-6-16-17(8-13)27-12-26-16/h2-8H,9-12H2,1H3,(H,20,21)