N-[[2-(methylsulfonylamino)phenyl]methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[[2-(methylsulfonylamino)phenyl]methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[[2-(methanesulfonamido)phenyl]methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[[2-(methanesulfonamido)phenyl]methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[[2-(methanesulfonamido)phenyl]methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-(methanesulfonamido)benzyl]phthalazine-1-carboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3NS(=O)(=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C22H26N4O4S/c1-3-4-9-14-26-22(28)18-12-7-6-11-17(18)20(24-26)21(27)23-15-16-10-5-8-13-19(16)25-31(2,29)30/h5-8,10-13,25H,3-4,9,14-15H2,1-2H3,(H,23,27)