[2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[4-(diethylamino)anilino]-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-[4-(diethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-[4-(diethylamino)anilino]-2-keto-ethyl] ester Formula: C23H28FN3O6S MolecularWeight: 493.548323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O6S/c1-3-26(4-2)18-7-5-17(6-8-18)25-22(28)16-33-23(29)20-15-19(9-10-21(20)24)34(30,31)27-11-13-32-14-12-27/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,25,28)