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

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-pyrimidyl)acetamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=NC=CC=N1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=NC=CC=N1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H18N4O5S/c1-20(11-15(21)19-16-17-6-2-7-18-16)26(22,23)12-4-5-13-14(10-12)25-9-3-8-24-13/h2,4-7,10H,3,8-9,11H2,1H3,(H,17,18,19,21)