2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxo-2-isoquinolyl]acetic acid CAS Name: 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1-oxo-2-isoquinolinyl]acetic acid IUPAC Name: 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxoisoquinolin-2-yl]acetic acid Traditional Name: 2-[4-[4-(2-fluorophenyl)piperazino]sulfonyl-1-keto-2-isoquinolyl]acetic acid Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=CN(C(=O)C4=CC=CC=C43)CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=CN(C(=O)C4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C21H20FN3O5S/c22-17-7-3-4-8-18(17)23-9-11-25(12-10-23)31(29,30)19-13-24(14-20(26)27)21(28)16-6-2-1-5-15(16)19/h1-8,13H,9-12,14H2,(H,26,27)