phenacyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: phenacyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: phenacyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid phenacyl ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO6S/c1-14-11-23(12-15(2)29-14)30(26,27)20-10-17(8-9-18(20)22)21(25)28-13-19(24)16-6-4-3-5-7-16/h3-10,14-15H,11-13H2,1-2H3