quinolin-8-ylmethyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: quinolin-8-ylmethyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: 8-quinolylmethyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid 8-quinolylmethyl ester Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19FN2O5S/c22-19-7-6-17(30(26,27)24-9-11-28-12-10-24)13-18(19)21(25)29-14-16-4-1-3-15-5-2-8-23-20(15)16/h1-8,13H,9-12,14H2