4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C22H24ClN5O5S2 MolecularWeight: 538.03946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)C

InChI

InChI=1S/C22H24ClN5O5S2/c1-16-6-7-17(23)15-20(16)28(34(2,30)31)14-3-5-21(29)26-18-8-10-19(11-9-18)35(32,33)27-22-24-12-4-13-25-22/h4,6-13,15H,3,5,14H2,1-2H3,(H,26,29)(H,24,25,27)