4-[4-[(3R)-3-carbonochloridoyl-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenoxy]but-2-ynyl ethanoate

Systemtic Name: 4-[4-[(3R)-3-carbonochloridoyl-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenoxy]but-2-ynyl ethanoate Openeye Name: 4-[4-[(3R)-3-chlorocarbonyl-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenoxy]but-2-ynyl acetate CAS Name: acetic acid 4-[4-[[(3R)-3-carbonochloridoyl-2,2-dimethyl-4-thiomorpholinyl]sulfonyl]phenoxy]but-2-ynyl ester IUPAC Name: 4-[4-[(3R)-3-carbonochloridoyl-2,2-dimethylthiomorpholin-4-yl]sulfonylphenoxy]but-2-ynyl acetate Traditional Name: acetic acid 4-[4-[(3R)-3-chlorocarbonyl-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenoxy]but-2-ynyl ester Formula: C19H22ClNO6S2 MolecularWeight: 459.96408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)Cl)(C)C

Isomeric SMILES

CC(=O)OCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC([C@@H]2C(=O)Cl)(C)C

InChI

InChI=1S/C19H22ClNO6S2/c1-14(22)26-11-4-5-12-27-15-6-8-16(9-7-15)29(24,25)21-10-13-28-19(2,3)17(21)18(20)23/h6-9,17H,10-13H2,1-3H3/t17-/m0/s1