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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S2/c1-16-3-6-18(7-4-16)24-23-25-19(15-32-23)14-31-22(27)21-13-20(8-5-17(21)2)33(28,29)26-9-11-30-12-10-26/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,25)