3-[4-[4-[(E)-2-(5-bromanylthiophen-2-yl)ethenyl]sulfonylpiperazin-1-yl]carbonylpiperidin-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-[(E)-2-(5-bromanylthiophen-2-yl)ethenyl]sulfonylpiperazin-1-yl]carbonylpiperidin-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-[4-[(E)-2-(5-bromo-2-thienyl)vinyl]sulfonylpiperazine-1-carbonyl]-1-piperidyl]-1H-pyridazin-6-one CAS Name: 3-[4-[[4-[(E)-2-(5-bromo-2-thiophenyl)ethenyl]sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]sulfonylpiperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-[4-[(E)-2-(5-bromo-2-thienyl)vinyl]sulfonylpiperazine-1-carbonyl]piperidino]-1H-pyridazin-6-one Formula: C20H24BrN5O4S2 MolecularWeight: 542.46966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=C(S3)Br)C4=NNC(=O)C=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=C(S3)Br)C4=NNC(=O)C=C4

InChI

InChI=1S/C20H24BrN5O4S2/c21-17-2-1-16(31-17)7-14-32(29,30)26-12-10-25(11-13-26)20(28)15-5-8-24(9-6-15)18-3-4-19(27)23-22-18/h1-4,7,14-15H,5-6,8-13H2,(H,23,27)/b14-7+