4-(4-methylphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]-1,2-dihydrophthalazine

Systemtic Name: 4-(4-methylphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]-1,2-dihydrophthalazine Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(p-tolyl)-1,2-dihydrophthalazine CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(4-methylphenyl)-1,2-dihydrophthalazine IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-methylphenyl)-1,2-dihydrophthalazine Traditional Name: 1-(4-besylpiperazino)-4-(p-tolyl)-1,2-dihydrophthalazine Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S/c1-19-11-13-20(14-12-19)24-22-9-5-6-10-23(22)25(27-26-24)28-15-17-29(18-16-28)32(30,31)21-7-3-2-4-8-21/h2-14,25,27H,15-18H2,1H3