5-[bis-(4-methylphenyl)sulfonylamino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[bis-(4-methylphenyl)sulfonylamino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[bis(p-tolylsulfonyl)amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[bis-(4-methylphenyl)sulfonylamino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[bis-(4-methylphenyl)sulfonylamino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-(ditosylamino)-4-keto-3H-phthalazin-1-olate Formula: C22H18N3O6S2- MolecularWeight: 484.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC3=C2C(=O)NN=C3[O-])S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC3=C2C(=O)NN=C3[O-])S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H19N3O6S2/c1-14-6-10-16(11-7-14)32(28,29)25(33(30,31)17-12-8-15(2)9-13-17)19-5-3-4-18-20(19)22(27)24-23-21(18)26/h3-13H,1-2H3,(H,23,26)(H,24,27)/p-1