3-bromanyl-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 3-bromo-4-methoxy-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 3-bromo-4-methoxy-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 3-bromo-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 3-bromo-4-methoxy-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C19H17BrN2O3S2 MolecularWeight: 465.38388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Br

InChI

InChI=1S/C19H17BrN2O3S2/c1-25-19-9-8-17(11-18(19)20)27(23,24)22-15-4-6-16(7-5-15)26-13-14-3-2-10-21-12-14/h2-12,22H,13H2,1H3