4-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[4-(2-cyano-3-fluoro-phenyl)piperazino]-3-nitro-N-phenyl-benzenesulfonamide Formula: C23H20FN5O4S MolecularWeight: 481.499403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20FN5O4S/c24-20-7-4-8-21(19(20)16-25)27-11-13-28(14-12-27)22-10-9-18(15-23(22)29(30)31)34(32,33)26-17-5-2-1-3-6-17/h1-10,15,26H,11-14H2