N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C22H29N5O5S/c1-25-21(28)9-7-18(24-25)22(29)23-19-16-17(33(30,31)27-12-14-32-15-13-27)6-8-20(19)26-10-4-2-3-5-11-26/h6-9,16H,2-5,10-15H2,1H3,(H,23,29)