N-[3-(azepan-1-ylsulfonyl)phenyl]-1-methyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-methyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-keto-1-methyl-4,5-dihydropyridazine-3-carboxamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC(=N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C(=O)CCC(=N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O4S/c1-21-17(23)10-9-16(20-21)18(24)19-14-7-6-8-15(13-14)27(25,26)22-11-4-2-3-5-12-22/h6-8,13H,2-5,9-12H2,1H3,(H,19,24)