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

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)phthalazine Openeye Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(p-tolyl)phthalazine CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(4-methylphenyl)phthalazine IUPAC Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)phthalazine Traditional Name: 1-[4-(4-fluorophenyl)sulfonylpiperazino]-4-(p-tolyl)phthalazine Formula: C25H23FN4O2S MolecularWeight: 462.539123

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN4O2S/c1-18-6-8-19(9-7-18)24-22-4-2-3-5-23(22)25(28-27-24)29-14-16-30(17-15-29)33(31,32)21-12-10-20(26)11-13-21/h2-13H,14-17H2,1H3