[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H22FN3O5S2 MolecularWeight: 491.555583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C22H22FN3O5S2/c1-15-2-4-16(5-3-15)24-22-25-17(14-32-22)13-31-21(27)19-12-18(6-7-20(19)23)33(28,29)26-8-10-30-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,24,25)