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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-ketophthalazin-2-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)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H24N4O4S/c27-21(16-26-22(28)20-11-4-3-8-17(20)15-23-26)24-18-9-7-10-19(14-18)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,24,27)