N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N4O4S/c1-2-12-24-19(25)11-10-18(22-24)20(26)21-16-8-7-9-17(15-16)29(27,28)23-13-5-3-4-6-14-23/h7-11,15H,2-6,12-14H2,1H3,(H,21,26)