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

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C22H25N5O5S2 MolecularWeight: 503.5944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C22H25N5O5S2/c1-4-20(27(33(3,29)30)18-10-6-16(2)7-11-18)21(28)25-17-8-12-19(13-9-17)34(31,32)26-22-23-14-5-15-24-22/h5-15,20H,4H2,1-3H3,(H,25,28)(H,23,24,26)