[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [4-acetyl-2-[(2-pyrimidinylthio)methyl]phenyl] ester IUPAC Name: [4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [4-acetyl-2-[(2-pyrimidylthio)methyl]phenyl] ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)CSC3=NC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)CSC3=NC=CC=N3

InChI

InChI=1S/C22H21N3O5S2/c1-15(26)17-7-10-20(18(13-17)14-31-22-23-11-4-12-24-22)30-21(27)16-5-8-19(9-6-16)32(28,29)25(2)3/h4-13H,14H2,1-3H3