3-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]isocarbostyril Formula: C21H17ClF3N3O4S MolecularWeight: 499.89059

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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)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClF3N3O4S/c22-17-6-5-14(12-16(17)21(23,24)25)33(31,32)28-9-7-27(8-10-28)20(30)18-11-13-3-1-2-4-15(13)19(29)26-18/h1-6,11-12H,7-10H2,(H,26,29)