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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)ethyl]-6-(4-ethoxyphenyl)pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)ethyl]-6-(4-ethoxyphenyl)pyridazin-3-one Traditional Name: 2-[2-(4-benzylsulfonylpiperazino)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)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S/c1-2-33-23-10-8-22(9-11-23)24-12-13-25(30)29(26-24)19-16-27-14-17-28(18-15-27)34(31,32)20-21-6-4-3-5-7-21/h3-13H,2,14-20H2,1H3