[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5S/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/h4-7,10,14,16,20-21H,9H2,1-3H3/t14-,16+/m1/s1