(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonylamino]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonylamino]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(4-bromo-2,6-dichloro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-bromo-2,6-dichloro-phenyl)sulfonylamino]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H12BrCl2N3O5S MolecularWeight: 485.13718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CNS(=O)(=O)C1=C(C=C(C=C1Cl)Br)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CNS(=O)(=O)C1=C(C=C(C=C1Cl)Br)Cl

InChI

InChI=1S/C14H12BrCl2N3O5S/c1-7(19)9(4-18)12(21)6-25-13(22)5-20-26(23,24)14-10(16)2-8(15)3-11(14)17/h2-3,9,19-20H,5-6H2,1H3