ethyl 4-[2,3-dimethyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2,3-dimethyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2,3-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[2,3-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2,3-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[5-(6-keto-1H-pyridazin-3-yl)-2,3-dimethyl-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C3=NNC(=O)C=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C3=NNC(=O)C=C3

InChI

InChI=1S/C19H24N4O5S/c1-4-28-19(25)22-7-9-23(10-8-22)29(26,27)17-12-15(11-13(2)14(17)3)16-5-6-18(24)21-20-16/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,24)