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

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-oxo-1,2-diphenyl-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-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 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 desyl ester Formula: C32H29NO5S MolecularWeight: 539.64136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H29NO5S/c1-23-16-18-27(19-17-23)39(36,37)33-21-20-24-10-8-9-15-28(24)29(33)22-30(34)38-32(26-13-6-3-7-14-26)31(35)25-11-4-2-5-12-25/h2-19,29,32H,20-22H2,1H3