N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(2-ethoxyphenyl)-4-(methylthio)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-(methylthio)-N-o-phenetyl-benzenesulfonamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H30N2O4S2/c1-3-29-22-11-7-6-10-21(22)25(18-23(26)24-16-8-4-5-9-17-24)31(27,28)20-14-12-19(30-2)13-15-20/h6-7,10-15H,3-5,8-9,16-18H2,1-2H3