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

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(benzofuran-2-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-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-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-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C26H21NO6S MolecularWeight: 475.51304

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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=CC=CC=C5O4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H21NO6S/c28-23(25-15-19-7-3-4-11-24(19)33-25)17-32-26(29)20-9-5-10-22(14-20)34(30,31)27-13-12-18-6-1-2-8-21(18)16-27/h1-11,14-15H,12-13,16-17H2