[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)/C(=C(\C)/N)/C#N)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C17H20BrN3O5S/c1-10(2)16(17(23)26-9-15(22)14(8-19)11(3)20)21-27(24,25)13-6-4-12(18)5-7-13/h4-7,10,16,21H,9,20H2,1-3H3/b14-11+/t16-/m0/s1