N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxocinnolin-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-1-cinnolinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-ketocinnolin-1-yl)acetamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C23H26N4O5S/c1-32-22-11-10-17(33(30,31)26-12-6-2-3-7-13-26)14-19(22)25-23(29)16-27-20-9-5-4-8-18(20)21(28)15-24-27/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3,(H,25,29)