3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-(6-pyrazol-1-ylpyridin-3-yl)azanide

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-(6-pyrazol-1-ylpyridin-3-yl)azanide Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-(6-pyrazol-1-yl-3-pyridyl)azanide CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-[6-(1-pyrazolyl)-3-pyridinyl]azanide IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-(6-pyrazol-1-ylpyridin-3-yl)azanide Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl-(6-pyrazol-1-yl-3-pyridyl)azanide Formula: C17H15N4O4S- MolecularWeight: 371.3904

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)[N-]C3=CN=C(C=C3)N4C=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)[N-]C3=CN=C(C=C3)N4C=CC=N4)OC1

InChI

InChI=1S/C17H15N4O4S/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/h1,3-8,11-12H,2,9-10H2/q-1