1-(5-bromanylpyridin-2-yl)-4-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-4-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-(5-bromo-2-pyridyl)-4-(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(5-bromo-2-pyridinyl)-4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(5-bromopyridin-2-yl)-4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(5-bromo-2-pyridyl)-4-(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-piperazine Formula: C17H19BrFN3O4S MolecularWeight: 460.317863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)F

Isomeric SMILES

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)F

InChI

InChI=1S/C17H19BrFN3O4S/c1-25-14-9-13(19)16(10-15(14)26-2)27(23,24)22-7-5-21(6-8-22)17-4-3-12(18)11-20-17/h3-4,9-11H,5-8H2,1-2H3