4-fluoranyl-N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[2-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-fluoro-N-[2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[2-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[2-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C22H20FN5O5S MolecularWeight: 485.488103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN5O5S/c23-16-5-8-18(9-6-16)34(32,33)25-20-4-2-1-3-19(20)22(29)27-13-11-26(12-14-27)17-7-10-21(24-15-17)28(30)31/h1-10,15,25H,11-14H2