4-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]-3-nitro-benzenesulfonamide Formula: C20H19ClN6O5S MolecularWeight: 490.92006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H19ClN6O5S/c21-19-18(13-23-26(20(19)28)14-4-2-1-3-5-14)25-10-8-24(9-11-25)16-7-6-15(33(22,31)32)12-17(16)27(29)30/h1-7,12-13H,8-11H2,(H2,22,31,32)