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

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(1-phenylpyrazol-3-yl)butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(1-phenylpyrazol-3-yl)butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-(1-phenyl-3-pyrazolyl)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(1-phenylpyrazol-3-yl)butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-(1-phenylpyrazol-3-yl)butyramide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=NN(C=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=NN(C=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N4O5S2/c1-32-14-10-18(22(27)23-21-9-11-26(24-21)16-5-3-2-4-6-16)25-33(28,29)17-7-8-19-20(15-17)31-13-12-30-19/h2-9,11,15,18,25H,10,12-14H2,1H3,(H,23,24,27)/t18-/m0/s1