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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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