3-butyl-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-keto-phthalazine-1-carboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C22H26N4O4S/c1-5-6-13-26-22(28)18-10-8-7-9-17(18)20(24-26)21(27)23-19-14-16(12-11-15(19)2)31(29,30)25(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,23,27)