[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(4-bromophenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-1-cyclopentanecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-brosylcyclopentanecarboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1(CCCC1)S(=O)(=O)C2=CC=C(C=C2)Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1(CCCC1)S(=O)(=O)C2=CC=C(C=C2)Br)/N

InChI

InChI=1S/C18H19BrN2O5S/c1-12(21)15(10-20)16(22)11-26-17(23)18(8-2-3-9-18)27(24,25)14-6-4-13(19)5-7-14/h4-7H,2-3,8-9,11,21H2,1H3/b15-12+