2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-5-nitro-benzenesulfonamide

Systemtic Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-5-nitro-benzenesulfonamide Openeye Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-5-nitro-benzenesulfonamide CAS Name: 2-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-5-nitrobenzenesulfonamide IUPAC Name: 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-5-nitrobenzenesulfonamide Traditional Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-5-nitro-benzenesulfonamide Formula: C22H18FN5O4S MolecularWeight: 467.472823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C22H18FN5O4S/c23-17-8-6-15(7-9-17)22-16(14-27(26-22)18-4-2-1-3-5-18)13-25-20-11-10-19(28(29)30)12-21(20)33(24,31)32/h1-12,14,25H,13H2,(H2,24,31,32)