methyl 2-[5-chloranyl-6-oxidanylidene-4-[4-(propylsulfonylamino)piperidin-1-yl]pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-6-oxidanylidene-4-[4-(propylsulfonylamino)piperidin-1-yl]pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-6-oxo-4-[4-(propylsulfonylamino)-1-piperidyl]pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-6-oxo-4-[4-(propylsulfonylamino)-1-piperidinyl]-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-6-oxo-4-[4-(propylsulfonylamino)piperidin-1-yl]pyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-[4-(propylsulfonylamino)piperidino]pyridazin-1-yl]benzoic acid methyl ester Formula: C20H25ClN4O5S MolecularWeight: 468.9543

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CCCS(=O)(=O)NC1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C20H25ClN4O5S/c1-3-12-31(28,29)23-14-8-10-24(11-9-14)17-13-22-25(19(26)18(17)21)16-7-5-4-6-15(16)20(27)30-2/h4-7,13-14,23H,3,8-12H2,1-2H3