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

Systemtic Name: 2-(4-methoxyphenyl)ethyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: 2-(4-methoxyphenyl)ethyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid 2-(4-methoxyphenyl)ethyl ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C22H26ClNO6S/c1-15-13-24(14-16(2)30-15)31(26,27)21-12-18(6-9-20(21)23)22(25)29-11-10-17-4-7-19(28-3)8-5-17/h4-9,12,15-16H,10-11,13-14H2,1-3H3