[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C27H27NO5S MolecularWeight: 477.57198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H27NO5S/c1-19-7-11-22(12-8-19)26(29)18-33-27(30)17-25-24-6-4-3-5-21(24)15-16-28(25)34(31,32)23-13-9-20(2)10-14-23/h3-14,25H,15-18H2,1-2H3