[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C22H25FN2O7S MolecularWeight: 480.506503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25FN2O7S/c1-16-3-2-4-18(13-16)31-10-7-24-21(26)15-32-22(27)17-5-6-19(23)20(14-17)33(28,29)25-8-11-30-12-9-25/h2-6,13-14H,7-12,15H2,1H3,(H,24,26)