4-[5-(4-bromanyl-3-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-bromanyl-3-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(4-bromo-3-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(4-bromo-3-methoxyphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(4-bromo-3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(4-bromo-3-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C17H13BrF3N3O3S MolecularWeight: 476.26763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Br

InChI

InChI=1S/C17H13BrF3N3O3S/c1-27-15-8-10(2-7-13(15)18)14-9-16(17(19,20)21)23-24(14)11-3-5-12(6-4-11)28(22,25)26/h2-9H,1H3,(H2,22,25,26)