N-[2-(azepan-1-yl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]methanesulfonamide CAS Name: N-[2-(1-azepanyl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-5-(4-keto-3H-phthalazin-1-yl)phenyl]methanesulfonamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N4CCCCCC4

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N4CCCCCC4

InChI

InChI=1S/C21H24N4O3S/c1-29(27,28)24-18-14-15(10-11-19(18)25-12-6-2-3-7-13-25)20-16-8-4-5-9-17(16)21(26)23-22-20/h4-5,8-11,14,24H,2-3,6-7,12-13H2,1H3,(H,23,26)