N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-keto-3H-phthalazin-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=C(C=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O4S/c27-21(15-20-18-7-3-4-8-19(18)22(28)25-24-20)23-16-9-11-17(12-10-16)31(29,30)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,27)(H,25,28)