[2-(diethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CCN(CC)C(=O)COC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C17H25N3O6S/c1-5-20(6-2)16(22)11-26-17(23)12(3)19-27(24,25)15-9-7-14(8-10-15)18-13(4)21/h7-10,12,19H,5-6,11H2,1-4H3,(H,18,21)/t12-/m0/s1