1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,2-dihydrophthalazine

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,2-dihydrophthalazine Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-(p-tolyl)-1,2-dihydrophthalazine CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-4-(4-methylphenyl)-1,2-dihydrophthalazine IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,2-dihydrophthalazine Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-4-(p-tolyl)-1,2-dihydrophthalazine Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4O2S/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/h2-13,25,28H,14-17H2,1H3