6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-propyl-pyridazin-3-one

Systemtic Name: 6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-propyl-pyridazin-3-one Openeye Name: 6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]-2-propyl-pyridazin-3-one CAS Name: 6-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propyl-3-pyridazinone IUPAC Name: 6-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one Traditional Name: 6-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]-2-propyl-pyridazin-3-one Formula: C19H23N5O6S MolecularWeight: 449.48082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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