ethyl 2-(4-methylphenyl)sulfonyl-5-phenyl-heptanoate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-5-phenyl-heptanoate Openeye Name: ethyl 5-phenyl-2-(p-tolylsulfonyl)heptanoate CAS Name: 2-(4-methylphenyl)sulfonyl-5-phenylheptanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-5-phenylheptanoate Traditional Name: 5-phenyl-2-tosyl-enanthic acid ethyl ester Formula: C22H28O4S MolecularWeight: 388.52032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2

Isomeric SMILES

CCC(CCC(C(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2

InChI

InChI=1S/C22H28O4S/c1-4-18(19-9-7-6-8-10-19)13-16-21(22(23)26-5-2)27(24,25)20-14-11-17(3)12-15-20/h6-12,14-15,18,21H,4-5,13,16H2,1-3H3