2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)propionamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N5O5S/c1-13(2)26-20-15(11-23-26)9-16(12-22-20)24-21(27)14(3)25-32(28,29)17-5-6-18-19(10-17)31-8-4-7-30-18/h5-6,9-14,25H,4,7-8H2,1-3H3,(H,24,27)