ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-[[4-(1-piperidylsulfonyl)benzoyl]amino]pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-oxo-4-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-[(4-piperidinosulfonylbenzoyl)amino]pyridazine-3-carboxylic acid ethyl ester Formula: C25H25FN4O6S MolecularWeight: 528.552603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O6S/c1-2-36-25(33)23-21(16-22(31)30(28-23)19-10-8-18(26)9-11-19)27-24(32)17-6-12-20(13-7-17)37(34,35)29-14-4-3-5-15-29/h6-13,16H,2-5,14-15H2,1H3,(H,27,32)