(4-methylsulfanylphenyl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 3-(2,6-dimethylmorpholino)sulfonylbenzoic acid [4-(methylthio)benzyl] ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25NO5S2/c1-15-12-22(13-16(2)27-15)29(24,25)20-6-4-5-18(11-20)21(23)26-14-17-7-9-19(28-3)10-8-17/h4-11,15-16H,12-14H2,1-3H3