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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-(2-phenylethenylsulfonylamino)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-methyl-2-(styrylsulfonylamino)butanoate CAS Name: 3-methyl-2-(2-phenylethenylsulfonylamino)butanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-methyl-2-(2-phenylethenylsulfonylamino)butanoate Traditional Name: 3-methyl-2-(styrylsulfonylamino)butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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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)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O7S/c1-16(2)22(25-33(28,29)11-10-17-6-4-3-5-7-17)23(27)30-14-21(26)24-13-18-8-9-19-20(12-18)32-15-31-19/h3-12,16,22,25H,13-15H2,1-2H3,(H,24,26)