2,5-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C20H20N2O2S2 MolecularWeight: 384.515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S2/c1-15-5-6-16(2)20(12-15)26(23,24)22-18-7-9-19(10-8-18)25-14-17-4-3-11-21-13-17/h3-13,22H,14H2,1-2H3