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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@H](C(C)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C19H25N3O5S/c1-11(2)18(19(24)27-10-17(23)16(9-20)14(5)21)22-28(25,26)15-7-6-12(3)13(4)8-15/h6-8,11,16,18,21-22H,10H2,1-5H3/t16-,18-/m1/s1