N-(6-pyrazol-1-ylpyridin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(6-pyrazol-1-ylpyridin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(6-pyrazol-1-yl-3-pyridyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[6-(1-pyrazolyl)-3-pyridinyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(6-pyrazol-1-ylpyridin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(6-pyrazol-1-yl-3-pyridyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CN=C(C=C3)N4C=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CN=C(C=C3)N4C=CC=N4)OC1

InChI

InChI=1S/C17H16N4O4S/c22-26(23,14-4-5-15-16(11-14)25-10-2-9-24-15)20-13-3-6-17(18-12-13)21-8-1-7-19-21/h1,3-8,11-12,20H,2,9-10H2