3-(azepan-1-ylsulfonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)benzamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H27N5O3S/c1-16(2)27-21-18(14-24-27)12-19(15-23-21)25-22(28)17-8-7-9-20(13-17)31(29,30)26-10-5-3-4-6-11-26/h7-9,12-16H,3-6,10-11H2,1-2H3,(H,25,28)