(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-(4-bromophenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-1-cyclopentanecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-brosylcyclopentanecarboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-7,15,21H,2-3,8-9,11H2,1H3