ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]pyridazine-3-carboxylate Openeye Name: ethyl 1-(o-tolyl)-6-oxo-4-[[4-(1-piperidylsulfonyl)benzoyl]amino]pyridazine-3-carboxylate CAS Name: 1-(2-methylphenyl)-6-oxo-4-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylphenyl)-6-oxo-4-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyridazine-3-carboxylate Traditional Name: 6-keto-1-(o-tolyl)-4-[(4-piperidinosulfonylbenzoyl)amino]pyridazine-3-carboxylic acid ethyl ester Formula: C26H28N4O6S MolecularWeight: 524.58872

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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=CC=C4C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4C

InChI

InChI=1S/C26H28N4O6S/c1-3-36-26(33)24-21(17-23(31)30(28-24)22-10-6-5-9-18(22)2)27-25(32)19-11-13-20(14-12-19)37(34,35)29-15-7-4-8-16-29/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,27,32)