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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

InChI

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