N-methyl-4-oxidanylidene-N-[1-(4-sulfamoylphenyl)ethyl]-3H-phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-N-[1-(4-sulfamoylphenyl)ethyl]-3H-phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]-3H-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]-3H-phthalazine-1-carboxamide IUPAC Name: N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-3H-phthalazine-1-carboxamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H18N4O4S/c1-11(12-7-9-13(10-8-12)27(19,25)26)22(2)18(24)16-14-5-3-4-6-15(14)17(23)21-20-16/h3-11H,1-2H3,(H,21,23)(H2,19,25,26)