[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: 2-[(4-acetylphenyl)sulfonylamino]propanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: 2-[(4-acetylphenyl)sulfonylamino]propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H22N2O8S/c1-12(23-32(27,28)17-7-4-15(5-8-17)13(2)24)21(26)31-14(3)20(25)22-16-6-9-18-19(10-16)30-11-29-18/h4-10,12,14,23H,11H2,1-3H3,(H,22,25)