3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C16H17N5O7S MolecularWeight: 423.40048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O7S/c1-28-14-4-2-11(10-13(14)21(24)25)29(26,27)20-8-6-19(7-9-20)16(23)12-3-5-15(22)18-17-12/h2-5,10H,6-9H2,1H3,(H,18,22)