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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O5S/c1-9(2)13(14(19)22-8-12(18)16-3)17-23(20,21)11-6-4-10(15)5-7-11/h4-7,9,13,17H,8H2,1-3H3,(H,16,18)/t13-/m0/s1