3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-[4-(2,3-dimethylphenyl)piperazino]sulfonylphenyl]-2H-phthalazine-1,4-quinone Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4)C

InChI

InChI=1S/C26H26N4O4S/c1-18-6-5-9-24(19(18)2)28-14-16-29(17-15-28)35(33,34)21-12-10-20(11-13-21)30-26(32)23-8-4-3-7-22(23)25(31)27-30/h3-13H,14-17H2,1-2H3,(H,27,31)