2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-pyrazol-1-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-pyrazol-1-ylpyridin-3-yl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-pyrazol-1-yl-3-pyridyl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-[2-(1-pyrazolyl)-3-pyridinyl]acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-pyrazol-1-ylpyridin-3-yl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-pyrazol-1-yl-3-pyridyl)acetamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(N=CC=C1)N2C=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)NC1=C(N=CC=C1)N2C=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N5O5S/c1-24(31(27,28)15-6-7-17-18(13-15)30-12-4-11-29-17)14-19(26)23-16-5-2-8-21-20(16)25-10-3-9-22-25/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,26)