[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O6S/c1-15-4-5-18(12-16(15)2)17(3)25-22(27)14-32-23(28)19-6-7-20(24)21(13-19)33(29,30)26-8-10-31-11-9-26/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,25,27)