N-[5-bromanyl-3-[(3,4-dimethoxyphenyl)methoxy]pyrazin-2-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[5-bromanyl-3-[(3,4-dimethoxyphenyl)methoxy]pyrazin-2-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[5-bromo-3-[(3,4-dimethoxyphenyl)methoxy]pyrazin-2-yl]-4-fluoro-benzenesulfonamide CAS Name: N-[5-bromo-3-[(3,4-dimethoxyphenyl)methoxy]-2-pyrazinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[5-bromo-3-[(3,4-dimethoxyphenyl)methoxy]pyrazin-2-yl]-4-fluorobenzenesulfonamide Traditional Name: N-(5-bromo-3-veratryloxy-pyrazin-2-yl)-4-fluoro-benzenesulfonamide Formula: C19H17BrFN3O5S MolecularWeight: 498.322783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC2=NC(=CN=C2NS(=O)(=O)C3=CC=C(C=C3)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC2=NC(=CN=C2NS(=O)(=O)C3=CC=C(C=C3)F)Br)OC

InChI

InChI=1S/C19H17BrFN3O5S/c1-27-15-8-3-12(9-16(15)28-2)11-29-19-18(22-10-17(20)23-19)24-30(25,26)14-6-4-13(21)5-7-14/h3-10H,11H2,1-2H3,(H,22,24)