(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(phenylsulfonyl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(phenylsulfonyl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H16N2O5S/c1-11(17)13(9-16)14(18)10-22-15(19)7-8-23(20,21)12-5-3-2-4-6-12/h2-6,13,17H,7-8,10H2,1H3