N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2C#N)OC

InChI

InChI=1S/C18H20N2O4S2/c1-23-17-8-7-16(11-18(17)24-2)26(21,22)20-9-10-25-13-15-6-4-3-5-14(15)12-19/h3-8,11,20H,9-10,13H2,1-2H3