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

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-oxo-1,2-diphenyl-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-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 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 desyl ester Formula: C31H27NO5S MolecularWeight: 525.61478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO5S/c33-29(37-31(25-15-6-2-7-16-25)30(34)24-13-4-1-5-14-24)22-28-27-19-11-10-12-23(27)20-21-32(28)38(35,36)26-17-8-3-9-18-26/h1-19,28,31H,20-22H2