(4-methylsulfanylphenyl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H23NO5S2/c1-15-3-8-18(28(23,24)21-9-11-25-12-10-21)13-19(15)20(22)26-14-16-4-6-17(27-2)7-5-16/h3-8,13H,9-12,14H2,1-2H3