4,5-bis(chloranyl)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]pyridazin-3-one Formula: C16H17Cl2N5O6S MolecularWeight: 478.30708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C(=C(C=N3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C(=C(C=N3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17Cl2N5O6S/c1-29-14-3-2-11(8-13(14)23(25)26)30(27,28)21-6-4-20(5-7-21)10-22-16(24)15(18)12(17)9-19-22/h2-3,8-9H,4-7,10H2,1H3