N-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: N-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-[4-bromo-1-(2-fluorobenzyl)pyrazol-3-yl]benzofurazan-4-sulfonamide Formula: C16H11BrFN5O3S MolecularWeight: 452.257643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NON=C43)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NON=C43)Br)F

InChI

InChI=1S/C16H11BrFN5O3S/c17-11-9-23(8-10-4-1-2-5-12(10)18)19-16(11)22-27(24,25)14-7-3-6-13-15(14)21-26-20-13/h1-7,9H,8H2,(H,19,22)