(3,5-dimethylphenyl)methyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid (3,5-dimethylbenzyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H22ClNO5S/c1-14-9-15(2)11-16(10-14)13-27-20(23)17-3-4-18(21)19(12-17)28(24,25)22-5-7-26-8-6-22/h3-4,9-12H,5-8,13H2,1-2H3