[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O6S/c1-14-3-6-17(7-4-14)23-20(25)15(2)30-21(26)16-5-8-18(22)19(13-16)31(27,28)24-9-11-29-12-10-24/h3-8,13,15H,9-12H2,1-2H3,(H,23,25)