[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H19BrN2O5S MolecularWeight: 431.30146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O5S/c1-4-9-18-14(20)10-24-16(21)15(11(2)3)19-25(22,23)13-7-5-12(17)6-8-13/h1,5-8,11,15,19H,9-10H2,2-3H3,(H,18,20)/t15-/m0/s1