[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-14(2)20(23-31(26,27)16-6-4-3-5-7-16)21(25)28-12-19(24)22-11-15-8-9-17-18(10-15)30-13-29-17/h3-10,14,20,23H,11-13H2,1-2H3,(H,22,24)