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

Systemtic Name: 2-(2-methoxyethyl)-6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-pyridazin-3-one Openeye Name: 2-(2-methoxyethyl)-6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]pyridazin-3-one CAS Name: 2-(2-methoxyethyl)-6-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-3-pyridazinone IUPAC Name: 2-(2-methoxyethyl)-6-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]pyridazin-3-one Traditional Name: 6-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one Formula: C19H23N5O7S MolecularWeight: 465.48022

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O7S/c1-31-12-11-23-18(25)6-4-15(20-23)19(26)22-9-7-21(8-10-22)16-5-3-14(32(2,29)30)13-17(16)24(27)28/h3-6,13H,7-12H2,1-2H3