(2-oxidanylideneoxolan-3-yl) 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C20H18ClNO6S MolecularWeight: 435.87802

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1COC(=O)C1OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H18ClNO6S/c21-16-6-5-14(19(23)28-17-8-10-27-20(17)24)11-18(16)29(25,26)22-9-7-13-3-1-2-4-15(13)12-22/h1-6,11,17H,7-10,12H2