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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-6-(4-ethoxyphenyl)pyridazin-3-one CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]ethyl]-6-(4-ethoxyphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-6-(4-ethoxyphenyl)pyridazin-3-one Traditional Name: 2-[2-(4-besylpiperazino)ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C24H28N4O4S MolecularWeight: 468.56852

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-2-32-21-10-8-20(9-11-21)23-12-13-24(29)28(25-23)19-16-26-14-17-27(18-15-26)33(30,31)22-6-4-3-5-7-22/h3-13H,2,14-19H2,1H3