4-methyl-2-(4-methylphenyl)sulfonyl-phthalazin-1-one

Systemtic Name: 4-methyl-2-(4-methylphenyl)sulfonyl-phthalazin-1-one Openeye Name: 4-methyl-2-(p-tolylsulfonyl)phthalazin-1-one CAS Name: 4-methyl-2-(4-methylphenyl)sulfonyl-1-phthalazinone IUPAC Name: 4-methyl-2-(4-methylphenyl)sulfonylphthalazin-1-one Traditional Name: 4-methyl-2-tosyl-phthalazin-1-one Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=CC=CC=C3C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=CC=CC=C3C(=N2)C

InChI

InChI=1S/C16H14N2O3S/c1-11-7-9-13(10-8-11)22(20,21)18-16(19)15-6-4-3-5-14(15)12(2)17-18/h3-10H,1-2H3