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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-(4-phenethylsulfonyl-1-piperazinyl)ethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 2-[2-(4-phenethylsulfonylpiperazino)ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C26H32N4O4S MolecularWeight: 496.62168

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O4S/c1-2-34-24-10-8-23(9-11-24)25-12-13-26(31)30(27-25)20-17-28-15-18-29(19-16-28)35(32,33)21-14-22-6-4-3-5-7-22/h3-13H,2,14-21H2,1H3