1-methyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-methyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-methyl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-(2-methyl-5-piperidinosulfonyl-phenyl)pyridazine-3-carboxamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C=C3)C

InChI

InChI=1S/C18H22N4O4S/c1-13-6-7-14(27(25,26)22-10-4-3-5-11-22)12-16(13)19-18(24)15-8-9-17(23)21(2)20-15/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,24)