[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)/N

InChI

InChI=1S/C19H16BrN3O5S/c1-12(22)17(10-21)18(24)11-28-19(25)13-2-6-15(7-3-13)23-29(26,27)16-8-4-14(20)5-9-16/h2-9,23H,11,22H2,1H3/b17-12+