2-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one

Systemtic Name: 2-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[4-[(5-ethyl-2-thienyl)sulfonyl]piperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[4-[(5-ethyl-2-thiophenyl)sulfonyl]-1-piperazinyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[4-[(5-ethyl-2-thienyl)sulfonyl]piperazino]ethyl]-6-phenyl-pyridazin-3-one Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3S2/c1-2-19-8-11-22(30-19)31(28,29)25-15-12-24(13-16-25)14-17-26-21(27)10-9-20(23-26)18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3