5-chloranyl-3-[2-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-3-oxidanylidene-1,4-dihydroisoquinolin-4-yl]thiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-3-[2-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-3-oxidanylidene-1,4-dihydroisoquinolin-4-yl]thiophene-2-sulfonamide Openeye Name: 5-chloro-3-[2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-oxo-1,4-dihydroisoquinolin-4-yl]thiophene-2-sulfonamide CAS Name: 5-chloro-3-[2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-oxo-1,4-dihydroisoquinolin-4-yl]-2-thiophenesulfonamide IUPAC Name: 5-chloro-3-[2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-oxo-1,4-dihydroisoquinolin-4-yl]thiophene-2-sulfonamide Traditional Name: 5-chloro-3-[2-[2-fluoro-4-(2-mesylphenyl)phenyl]-3-keto-1,4-dihydroisoquinolin-4-yl]thiophene-2-sulfonamide Formula: C26H20ClFN2O5S3 MolecularWeight: 591.093803

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CC4=CC=CC=C4C(C3=O)C5=C(SC(=C5)Cl)S(=O)(=O)N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CC4=CC=CC=C4C(C3=O)C5=C(SC(=C5)Cl)S(=O)(=O)N)F

InChI

InChI=1S/C26H20ClFN2O5S3/c1-37(32,33)22-9-5-4-7-17(22)15-10-11-21(20(28)12-15)30-14-16-6-2-3-8-18(16)24(25(30)31)19-13-23(27)36-26(19)38(29,34)35/h2-13,24H,14H2,1H3,(H2,29,34,35)