N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S/c1-3-12-25-20(26)11-9-17(23-25)21(27)22-18-15-16(8-10-19(18)30-2)31(28,29)24-13-6-4-5-7-14-24/h8-11,15H,3-7,12-14H2,1-2H3,(H,22,27)