[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C21H21FN2O8S MolecularWeight: 480.463443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O8S/c1-30-20(26)14-2-5-16(6-3-14)23-19(25)13-32-21(27)15-4-7-17(22)18(12-15)33(28,29)24-8-10-31-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,23,25)