ethyl 3-(4-chlorophenyl)-4-oxidanylidene-5-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)-4-oxidanylidene-5-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-4-oxo-5-[[4-(1-piperidylsulfonyl)benzoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-chlorophenyl)-4-oxo-5-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-4-oxo-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-keto-5-[(4-piperidinosulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H25ClN4O6S2 MolecularWeight: 601.0936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O6S2/c1-2-38-27(35)23-21-16-39-25(22(21)26(34)32(30-23)19-10-8-18(28)9-11-19)29-24(33)17-6-12-20(13-7-17)40(36,37)31-14-4-3-5-15-31/h6-13,16H,2-5,14-15H2,1H3,(H,29,33)