methyl 3-(cyclohexen-1-yl)-2-(phenylsulfonyl)propanoate

Systemtic Name: methyl 3-(cyclohexen-1-yl)-2-(phenylsulfonyl)propanoate Openeye Name: methyl 2-(benzenesulfonyl)-3-(cyclohexen-1-yl)propanoate CAS Name: 2-(benzenesulfonyl)-3-(1-cyclohexenyl)propanoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-3-(cyclohexen-1-yl)propanoate Traditional Name: 2-besyl-3-(cyclohexen-1-yl)propionic acid methyl ester Formula: C16H20O4S MolecularWeight: 308.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CCCCC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CCCCC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20O4S/c1-20-16(17)15(12-13-8-4-2-5-9-13)21(18,19)14-10-6-3-7-11-14/h3,6-8,10-11,15H,2,4-5,9,12H2,1H3