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

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-fluorophenyl)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-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid desyl ester Formula: C31H26FNO5S MolecularWeight: 543.605243

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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=C(C=C5)F

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=C(C=C5)F

InChI

InChI=1S/C31H26FNO5S/c32-25-15-17-26(18-16-25)39(36,37)33-20-19-22-9-7-8-14-27(22)28(33)21-29(34)38-31(24-12-5-2-6-13-24)30(35)23-10-3-1-4-11-23/h1-18,28,31H,19-21H2