1-(4-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phthalazine

Systemtic Name: 1-(4-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phthalazine Openeye Name: 1-(p-tolyl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]phthalazine CAS Name: 1-(4-methylphenyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]phthalazine IUPAC Name: 1-(4-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phthalazine Traditional Name: 1-(p-tolyl)-4-(4-tosylpiperazino)phthalazine Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H26N4O2S/c1-19-7-11-21(12-8-19)25-23-5-3-4-6-24(23)26(28-27-25)29-15-17-30(18-16-29)33(31,32)22-13-9-20(2)10-14-22/h3-14H,15-18H2,1-2H3