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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-6-keto-1H-pyridazine-3-carboxamide Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=NNC(=O)C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C17H19ClN4O4S/c18-13-6-5-12(27(25,26)22-9-3-1-2-4-10-22)11-15(13)19-17(24)14-7-8-16(23)21-20-14/h5-8,11H,1-4,9-10H2,(H,19,24)(H,21,23)