4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-methylpyridin-2-yl)benzamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-methylpyridin-2-yl)benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-methyl-2-pyridyl)benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-methyl-2-pyridinyl)benzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-methylpyridin-2-yl)benzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-methyl-2-pyridyl)benzamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21N3O5S/c1-15-4-2-11-23-21(15)24-22(26)16-5-7-17(8-6-16)25-31(27,28)18-9-10-19-20(14-18)30-13-3-12-29-19/h2,4-11,14,25H,3,12-13H2,1H3,(H,23,24,26)