N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-3-12-25-20(26)11-10-18(23-25)21(27)22-17-9-8-16(2)19(15-17)30(28,29)24-13-6-4-5-7-14-24/h8-11,15H,3-7,12-14H2,1-2H3,(H,22,27)