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

Systemtic Name: N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-12(2)22-18-13(10-20-22)8-14(11-19-18)21-27(23,24)15-4-5-16-17(9-15)26-7-3-6-25-16/h4-5,8-12,21H,3,6-7H2,1-2H3