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

Systemtic Name: N-[[2-(methylsulfonylamino)phenyl]methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[[2-(methanesulfonamido)phenyl]methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[[2-(methanesulfonamido)phenyl]methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[[2-(methanesulfonamido)phenyl]methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(methanesulfonamido)benzyl]-3-propyl-phthalazine-1-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3NS(=O)(=O)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C20H22N4O4S/c1-3-12-24-20(26)16-10-6-5-9-15(16)18(22-24)19(25)21-13-14-8-4-7-11-17(14)23-29(2,27)28/h4-11,23H,3,12-13H2,1-2H3,(H,21,25)