(1-cyanoindolizin-2-yl)methyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H22ClN3O5S MolecularWeight: 487.95588

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)OCC3=CN4C=CC=CC4=C3C#N)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl

InChI

InChI=1S/C23H22ClN3O5S/c1-15-11-27(12-16(2)32-15)33(29,30)22-9-17(6-7-20(22)24)23(28)31-14-18-13-26-8-4-3-5-21(26)19(18)10-25/h3-9,13,15-16H,11-12,14H2,1-2H3