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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S/c1-4-9-17-15(20)10-24-16(21)11(2)18-25(22,23)14-7-5-13(6-8-14)12(3)19/h1,5-8,11,18H,9-10H2,2-3H3,(H,17,20)/t11-/m0/s1