6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-pyridazin-3-one

Systemtic Name: 6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-pyridazin-3-one Openeye Name: 6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-pyridazin-3-one CAS Name: 6-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propyl-3-pyridazinone IUPAC Name: 6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2-propylpyridazin-3-one Traditional Name: 6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-pyridazin-3-one Formula: C19H23N5O6S MolecularWeight: 449.48082

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N5O6S/c1-3-8-23-18(25)7-6-16(20-23)19(26)21-9-11-22(12-10-21)31(29,30)17-13-15(24(27)28)5-4-14(17)2/h4-7,13H,3,8-12H2,1-2H3