3-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(3,4-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]isocarbostyril Formula: C20H17F2N3O4S MolecularWeight: 433.428486

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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(=C(C=C4)F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H17F2N3O4S/c21-16-6-5-14(12-17(16)22)30(28,29)25-9-7-24(8-10-25)20(27)18-11-13-3-1-2-4-15(13)19(26)23-18/h1-6,11-12H,7-10H2,(H,23,26)