hexyl (2Z,4E)-5-(diethylamino)-2-(phenylsulfonyl)penta-2,4-dienoate

Systemtic Name: hexyl (2Z,4E)-5-(diethylamino)-2-(phenylsulfonyl)penta-2,4-dienoate Openeye Name: hexyl (2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoate CAS Name: (2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoic acid hexyl ester IUPAC Name: hexyl (2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoate Traditional Name: (2Z,4E)-2-besyl-5-(diethylamino)penta-2,4-dienoic acid hexyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=CC=CN(CC)CC)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCOC(=O)/C(=C/C=C/N(CC)CC)/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H31NO4S/c1-4-7-8-12-18-26-21(23)20(16-13-17-22(5-2)6-3)27(24,25)19-14-10-9-11-15-19/h9-11,13-17H,4-8,12,18H2,1-3H3/b17-13+,20-16-