3-(3-methylbutyl)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(3-methylbutyl)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-isopentyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide CAS Name: 3-(3-methylbutyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(3-methylbutyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide Traditional Name: 3-isoamyl-4-keto-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H26N4O4S/c1-15(2)12-14-26-22(28)19-6-4-3-5-18(19)20(25-26)21(27)24-13-11-16-7-9-17(10-8-16)31(23,29)30/h3-10,15H,11-14H2,1-2H3,(H,24,27)(H2,23,29,30)