N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-(4-methoxyphenyl)sulfonyl-2-(2-thienyl)ethyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-(4-methoxyphenyl)sulfonyl-2-(2-thienyl)ethyl]-2-(methylthio)benzamide Formula: C21H21NO4S3 MolecularWeight: 447.59074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC=C2SC)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC=C2SC)C3=CC=CS3

InChI

InChI=1S/C21H21NO4S3/c1-26-15-9-11-16(12-10-15)29(24,25)20(19-8-5-13-28-19)14-22-21(23)17-6-3-4-7-18(17)27-2/h3-13,20H,14H2,1-2H3,(H,22,23)