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

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-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-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-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-(2-methoxyphenyl)ethyl] ester Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C27H27NO6S/c1-19-11-13-21(14-12-19)35(31,32)28-16-15-20-7-3-4-8-22(20)24(28)17-27(30)34-18-25(29)23-9-5-6-10-26(23)33-2/h3-14,24H,15-18H2,1-2H3