(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-methylsulfonylanilino)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H16ClN3O5S MolecularWeight: 385.82264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C15H16ClN3O5S/c1-10(18)13(7-17)14(20)9-24-15(21)8-19(25(2,22)23)12-5-3-4-11(16)6-12/h3-6,13,18H,8-9H2,1-2H3