N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(2-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(2-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-(2-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethoxyphenyl)-4-(methylthio)benzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(methylthio)-N-o-phenetyl-benzenesulfonamide Formula: C26H28N2O4S2 MolecularWeight: 496.64152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H28N2O4S2/c1-3-32-25-11-7-6-10-24(25)28(34(30,31)23-14-12-22(33-2)13-15-23)19-26(29)27-17-16-20-8-4-5-9-21(20)18-27/h4-15H,3,16-19H2,1-2H3