methyl 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoate Openeye Name: methyl 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxo-2-isoquinolyl]acetate CAS Name: 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1-oxo-2-isoquinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-oxoisoquinolin-2-yl]acetate Traditional Name: 2-[4-[4-(2-fluorophenyl)piperazino]sulfonyl-1-keto-2-isoquinolyl]acetic acid methyl ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)CN1C=C(C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O5S/c1-31-21(27)15-25-14-20(16-6-2-3-7-17(16)22(25)28)32(29,30)26-12-10-24(11-13-26)19-9-5-4-8-18(19)23/h2-9,14H,10-13,15H2,1H3