(4-methylsulfanylphenyl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)SC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)SC)C

InChI

InChI=1S/C20H25NO4S2/c1-5-21(6-2)27(23,24)19-13-17(10-7-15(19)3)20(22)25-14-16-8-11-18(26-4)12-9-16/h7-13H,5-6,14H2,1-4H3