(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-keto-2-morpholino-ethyl) ester Formula: C23H25FN2O6S MolecularWeight: 476.517803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2O6S/c24-18-5-7-19(8-6-18)33(29,30)26-10-9-17-3-1-2-4-20(17)21(26)15-23(28)32-16-22(27)25-11-13-31-14-12-25/h1-8,21H,9-16H2