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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)F

InChI

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