[(E)-7-cyano-7-(phenylsulfonyl)hept-2-enyl] ethanoate

Systemtic Name: [(E)-7-cyano-7-(phenylsulfonyl)hept-2-enyl] ethanoate Openeye Name: [(E)-7-(benzenesulfonyl)-7-cyano-hept-2-enyl] acetate CAS Name: acetic acid [(E)-7-(benzenesulfonyl)-7-cyanohept-2-enyl] ester IUPAC Name: [(E)-7-(benzenesulfonyl)-7-cyanohept-2-enyl] acetate Traditional Name: acetic acid [(E)-7-besyl-7-cyano-hept-2-enyl] ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CCCCC(C#N)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)OC/C=C/CCCC(C#N)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H19NO4S/c1-14(18)21-12-8-3-2-5-11-16(13-17)22(19,20)15-9-6-4-7-10-15/h3-4,6-10,16H,2,5,11-12H2,1H3/b8-3+