4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C22H23N5O7S2 MolecularWeight: 533.57732

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N5O7S2/c1-35(29,30)27(17-7-10-19-20(14-17)34-15-33-19)13-2-4-21(28)25-16-5-8-18(9-6-16)36(31,32)26-22-23-11-3-12-24-22/h3,5-12,14H,2,4,13,15H2,1H3,(H,25,28)(H,23,24,26)