3-[bis(fluoranyl)methyl]-4-bromanyl-5-(4-chlorophenyl)-2-pyrazol-1-yl-benzenesulfonamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-4-bromanyl-5-(4-chlorophenyl)-2-pyrazol-1-yl-benzenesulfonamide Openeye Name: 4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)-2-pyrazol-1-yl-benzenesulfonamide CAS Name: 4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)-2-(1-pyrazolyl)benzenesulfonamide IUPAC Name: 4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide Traditional Name: 4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)-2-pyrazol-1-yl-benzenesulfonamide Formula: C16H11BrClF2N3O2S MolecularWeight: 462.696246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C(=C2C(F)F)Br)C3=CC=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C(=C2C(F)F)Br)C3=CC=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H11BrClF2N3O2S/c17-14-11(9-2-4-10(18)5-3-9)8-12(26(21,24)25)15(13(14)16(19)20)23-7-1-6-22-23/h1-8,16H,(H2,21,24,25)