[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H21N3O8S/c1-12(23-32(27,28)16-6-3-14(4-7-16)21-13(2)24)20(26)29-10-19(25)22-15-5-8-17-18(9-15)31-11-30-17/h3-9,12,23H,10-11H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1