N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-nitro-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-fluorobenzyl)pyrazol-3-yl]-2-nitro-benzenesulfonamide Formula: C16H12BrFN4O4S MolecularWeight: 455.258283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H12BrFN4O4S/c17-13-10-21(9-11-5-7-12(18)8-6-11)19-16(13)20-27(25,26)15-4-2-1-3-14(15)22(23)24/h1-8,10H,9H2,(H,19,20)