[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO7S/c1-13-3-4-14(2)19(9-13)29(24,25)21-8-7-20(23)26-11-16(22)15-5-6-17-18(10-15)28-12-27-17/h3-6,9-10,21H,7-8,11-12H2,1-2H3