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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C22H21ClN2O5S2/c1-15-2-4-16(5-3-15)21-24-17(14-31-21)13-30-22(26)19-12-18(6-7-20(19)23)32(27,28)25-8-10-29-11-9-25/h2-7,12,14H,8-11,13H2,1H3