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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO5S/c1-19-11-13-21(14-12-19)25(28)18-32-26(29)17-24-23-10-6-5-7-20(23)15-16-27(24)33(30,31)22-8-3-2-4-9-22/h2-14,24H,15-18H2,1H3