N-(6-chloranylquinolin-8-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide

Systemtic Name: N-(6-chloranylquinolin-8-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(6-chloro-8-quinolyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide CAS Name: N-(6-chloro-8-quinolinyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(6-chloroquinolin-8-yl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-(6-chloro-8-quinolyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C2C(=CC(=C1)Cl)C=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)NC1=C2C(=CC(=C1)Cl)C=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20ClN3O5S/c1-25(31(27,28)16-5-6-18-19(12-16)30-9-3-8-29-18)13-20(26)24-17-11-15(22)10-14-4-2-7-23-21(14)17/h2,4-7,10-12H,3,8-9,13H2,1H3,(H,24,26)