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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-[4-(m-tolylsulfonyl)piperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(m-tolylsulfonyl)piperazino]ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C25H30N4O4S/c1-3-33-22-9-7-21(8-10-22)24-11-12-25(30)29(26-24)18-15-27-13-16-28(17-14-27)34(31,32)23-6-4-5-20(2)19-23/h4-12,19H,3,13-18H2,1-2H3