(2-oxidanylidene-1,2-diphenyl-ethyl) 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid desyl ester Formula: C30H25NO5S MolecularWeight: 511.5882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H25NO5S/c32-28(23-11-3-1-4-12-23)29(24-13-5-2-6-14-24)36-30(33)25-16-9-17-27(20-25)37(34,35)31-19-18-22-10-7-8-15-26(22)21-31/h1-17,20,29H,18-19,21H2