(5-chloranylquinolin-8-yl) 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: (5-chloranylquinolin-8-yl) 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: (5-chloro-8-quinolyl) 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-(2,6-dimethylmorpholino)sulfonylbenzoic acid (5-chloro-8-quinolyl) ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C22H21ClN2O5S/c1-14-12-25(13-15(2)29-14)31(27,28)17-7-5-16(6-8-17)22(26)30-20-10-9-19(23)18-4-3-11-24-21(18)20/h3-11,14-15H,12-13H2,1-2H3