methyl 5-[[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C23H20ClNO7S MolecularWeight: 489.9254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C23H20ClNO7S/c1-30-23(27)21-9-6-17(32-21)14-31-22(26)19-12-18(7-8-20(19)24)33(28,29)25-11-10-15-4-2-3-5-16(15)13-25/h2-9,12H,10-11,13-14H2,1H3