[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-bromo-5-(cyclopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-bromo-5-(cyclopropylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H16BrN3O5S MolecularWeight: 442.28434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-6,10,20H,2-3,8,19H2,1H3/b13-9+