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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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