4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 4-(4-fluoro-N-methylsulfonyl-anilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 4-(4-fluoro-N-mesyl-anilino)-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C21H22FN5O5S2 MolecularWeight: 507.558283

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN5O5S2/c1-33(29,30)27(18-9-5-16(22)6-10-18)15-2-4-20(28)25-17-7-11-19(12-8-17)34(31,32)26-21-23-13-3-14-24-21/h3,5-14H,2,4,15H2,1H3,(H,25,28)(H,23,24,26)