[2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(9H-fluoren-3-yl)-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(9H-fluoren-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(9H-fluoren-3-yl)-2-keto-ethyl] ester Formula: C31H25NO5S MolecularWeight: 523.5989

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC5=C(CC6=CC=CC=C65)C=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC5=C(CC6=CC=CC=C65)C=C4

InChI

InChI=1S/C31H25NO5S/c33-30(24-13-12-23-16-22-7-3-4-11-28(22)29(23)18-24)20-37-31(34)25-9-5-10-27(17-25)38(35,36)32-15-14-21-6-1-2-8-26(21)19-32/h1-13,17-18H,14-16,19-20H2