3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

Systemtic Name: 3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Openeye Name: 3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide IUPAC Name: 3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Traditional Name: 2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butyramide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C23H27N5O5S/c1-14(2)21(23(31)25-12-11-15-7-9-16(10-8-15)34(24,32)33)26-20(29)13-19-17-5-3-4-6-18(17)22(30)28-27-19/h3-10,14,21H,11-13H2,1-2H3,(H,25,31)(H,26,29)(H,28,30)(H2,24,32,33)