(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-bromo-5-(cyclopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-bromo-5-(cyclopropylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H16BrN3O5S MolecularWeight: 442.28434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC2CC2)Br

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC2CC2)Br

InChI

InChI=1S/C16H16BrN3O5S/c1-9(19)13(7-18)15(21)8-25-16(22)12-6-11(4-5-14(12)17)26(23,24)20-10-2-3-10/h4-6,10,13,19-20H,2-3,8H2,1H3