N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyridin-2-ylsulfanyl-butanamide

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyridin-2-ylsulfanyl-butanamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-pyridylsulfanyl)butanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-(2-pyridinylthio)butanamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyridin-2-ylsulfanylbutanamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-pyridylthio)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=NC(=CC(=N2)C)C)SC3=CC=CC=N3

Isomeric SMILES

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

InChI

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