6-(4-methylphenyl)-2-[2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-[2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[2-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)-2-[2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(4-phenylphenyl)sulfonylpiperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3S/c1-23-7-9-26(10-8-23)28-15-16-29(34)33(30-28)22-19-31-17-20-32(21-18-31)37(35,36)27-13-11-25(12-14-27)24-5-3-2-4-6-24/h2-16H,17-22H2,1H3