(4-methylsulfanylphenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [4-(methylthio)benzyl] ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O4S2/c1-22(2)29(25,26)18-10-11-20(23-12-4-5-13-23)19(14-18)21(24)27-15-16-6-8-17(28-3)9-7-16/h6-11,14H,4-5,12-13,15H2,1-3H3