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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-(4-propylsulfonyl-1-piperazinyl)ethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 6-p-phenetyl-2-[2-(4-propylsulfonylpiperazino)ethyl]pyridazin-3-one Formula: C21H30N4O4S MolecularWeight: 434.5523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H30N4O4S/c1-3-17-30(27,28)24-14-11-23(12-15-24)13-16-25-21(26)10-9-20(22-25)18-5-7-19(8-6-18)29-4-2/h5-10H,3-4,11-17H2,1-2H3