6-(4-methoxyphenyl)-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)ethyl]-6-(4-methoxyphenyl)pyridazin-3-one CAS Name: 6-(4-methoxyphenyl)-2-[2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)ethyl]-6-(4-methoxyphenyl)pyridazin-3-one Traditional Name: 2-[2-(4-benzylsulfonylpiperazino)ethyl]-6-(4-methoxyphenyl)pyridazin-3-one Formula: C24H28N4O4S MolecularWeight: 468.56852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O4S/c1-32-22-9-7-21(8-10-22)23-11-12-24(29)28(25-23)18-15-26-13-16-27(17-14-26)33(30,31)19-20-5-3-2-4-6-20/h2-12H,13-19H2,1H3