6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C26H32N4O5S MolecularWeight: 512.62108

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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=C(C=CC(=C4)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O5S/c1-4-35-22-8-6-21(7-9-22)23-10-12-26(31)30(27-23)18-15-28-13-16-29(17-14-28)36(32,33)25-19-20(2)5-11-24(25)34-3/h5-12,19H,4,13-18H2,1-3H3