(4-methylsulfanylphenyl)methyl 2-[[4-(diethylsulfamoyl)phenyl]carbonylamino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[[4-(diethylsulfamoyl)phenyl]carbonylamino]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate CAS Name: 2-[[[4-(diethylsulfamoyl)phenyl]-oxomethyl]amino]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate Traditional Name: 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid [4-(methylthio)benzyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-4-23(5-2)30(26,27)19-12-8-17(9-13-19)21(25)22-14-20(24)28-15-16-6-10-18(29-3)11-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)