2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)butanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridyl)butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-[6-(1-pyrazolyl)-3-pyridinyl]butanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)butanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-(6-pyrazol-1-yl-3-pyridyl)butyramide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CN=C(C=C1)N2C=CC=N2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSCCC(C(=O)NC1=CN=C(C=C1)N2C=CC=N2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N5O5S2/c1-32-12-7-17(21(27)24-15-3-6-20(22-14-15)26-9-2-8-23-26)25-33(28,29)16-4-5-18-19(13-16)31-11-10-30-18/h2-6,8-9,13-14,17,25H,7,10-12H2,1H3,(H,24,27)