(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H17Cl2N3O5S MolecularWeight: 482.33708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O5S/c1-12(24)16(9-23)19(26)11-30-20(27)14-4-2-13(3-5-14)10-25-31(28,29)15-6-7-17(21)18(22)8-15/h2-8,16,24-25H,10-11H2,1H3