N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-4-nitro-benzenesulfonamide CAS Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-4-nitro-benzenesulfonamide Formula: C16H11BrClFN4O4S MolecularWeight: 489.703343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)F

InChI

InChI=1S/C16H11BrClFN4O4S/c17-13-9-22(8-12-14(18)2-1-3-15(12)19)20-16(13)21-28(26,27)11-6-4-10(5-7-11)23(24)25/h1-7,9H,8H2,(H,20,21)