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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC#C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC#C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C16H19N3O6S/c1-4-9-17-15(21)10-25-16(22)11(2)19-26(23,24)14-7-5-13(6-8-14)18-12(3)20/h1,5-8,11,19H,9-10H2,2-3H3,(H,17,21)(H,18,20)/t11-/m0/s1