1-[2,3-dimethyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide

Systemtic Name: 1-[2,3-dimethyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide Openeye Name: 1-[2,3-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide CAS Name: 1-[2,3-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-[2,3-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[5-(6-keto-1H-pyridazin-3-yl)-2,3-dimethyl-phenyl]sulfonylisonipecotamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C18H22N4O4S/c1-11-9-14(15-3-4-17(23)21-20-15)10-16(12(11)2)27(25,26)22-7-5-13(6-8-22)18(19)24/h3-4,9-10,13H,5-8H2,1-2H3,(H2,19,24)(H,21,23)