2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(2-pyridylsulfamoyl)phenyl]butanamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]butyramide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H23N5O3S2/c1-4-18(30-21-23-14(2)13-15(3)24-21)20(27)25-16-8-10-17(11-9-16)31(28,29)26-19-7-5-6-12-22-19/h5-13,18H,4H2,1-3H3,(H,22,26)(H,25,27)