3-[4-(2-methylpropylsulfonyl)phenyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-(2-methylpropylsulfonyl)phenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-(4-isobutylsulfonylphenyl)-2H-phthalazine-1,4-dione CAS Name: 3-[4-(2-methylpropylsulfonyl)phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-(2-methylpropylsulfonyl)phenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-(4-isobutylsulfonylphenyl)-2H-phthalazine-1,4-quinone Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H18N2O4S/c1-12(2)11-25(23,24)14-9-7-13(8-10-14)20-18(22)16-6-4-3-5-15(16)17(21)19-20/h3-10,12H,11H2,1-2H3,(H,19,21)