(E)-7-[4-(2-ethylphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-N-methylsulfonyl-hept-5-enamide

Systemtic Name: (E)-7-[4-(2-ethylphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-N-methylsulfonyl-hept-5-enamide Openeye Name: (E)-7-[4-(2-ethylphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-N-methylsulfonyl-hept-5-enamide CAS Name: (E)-7-[4-(2-ethylphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-N-methylsulfonyl-5-heptenamide IUPAC Name: (E)-7-[4-(2-ethylphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-N-methylsulfonylhept-5-enamide Traditional Name: (E)-7-[4-(2-ethylphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-N-mesyl-hept-5-enamide Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2C(COC(O2)(C)C)CC=CCCCC(=O)NS(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1C2C(COC(O2)(C)C)C/C=C/CCCC(=O)NS(=O)(=O)C

InChI

InChI=1S/C22H33NO5S/c1-5-17-12-10-11-14-19(17)21-18(16-27-22(2,3)28-21)13-8-6-7-9-15-20(24)23-29(4,25)26/h6,8,10-12,14,18,21H,5,7,9,13,15-16H2,1-4H3,(H,23,24)/b8-6+