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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-6-11-19-16(21)12-25-17(22)13(2)20-26(23,24)15-9-7-14(8-10-15)18(3,4)5/h1,7-10,13,20H,11-12H2,2-5H3,(H,19,21)/t13-/m0/s1