5-bromanyl-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 5-bromo-2-methyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 5-bromo-2-methyl-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 5-bromo-2-methyl-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C19H17BrN2O2S2 MolecularWeight: 449.38448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C19H17BrN2O2S2/c1-14-4-5-16(20)11-19(14)26(23,24)22-17-6-8-18(9-7-17)25-13-15-3-2-10-21-12-15/h2-12,22H,13H2,1H3