N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxocinnolin-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-oxo-1-cinnolinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxocinnolin-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-ketocinnolin-1-yl)acetamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C22H24N4O4S/c27-21-15-23-26(20-11-4-3-10-19(20)21)16-22(28)24-17-8-7-9-18(14-17)31(29,30)25-12-5-1-2-6-13-25/h3-4,7-11,14-15H,1-2,5-6,12-13,16H2,(H,24,28)