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

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-(4-chloro-N-mesyl-anilino)-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C21H22ClN5O5S2 MolecularWeight: 524.01288

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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)Cl)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)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H22ClN5O5S2/c1-3-19(27(33(2,29)30)17-9-5-15(22)6-10-17)20(28)25-16-7-11-18(12-8-16)34(31,32)26-21-23-13-4-14-24-21/h4-14,19H,3H2,1-2H3,(H,25,28)(H,23,24,26)