[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R)-1-tosylpyrrolidine-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H21N3O5S/c1-12-5-7-14(8-6-12)27(24,25)21-9-3-4-16(21)18(23)26-11-17(22)15(10-19)13(2)20/h5-8,15-16,20H,3-4,9,11H2,1-2H3/t15-,16-/m1/s1