3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]isocarbostyril Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H18FN3O4S/c21-16-7-3-4-8-18(16)29(27,28)24-11-9-23(10-12-24)20(26)17-13-14-5-1-2-6-15(14)19(25)22-17/h1-8,13H,9-12H2,(H,22,25)