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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methylsulfanyl-benzamide Openeye Name: 2-methylsulfanyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide Traditional Name: 2-(methylthio)-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C21H21NO3S3 MolecularWeight: 431.59134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC=C2SC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC=C2SC)C3=CC=CS3

InChI

InChI=1S/C21H21NO3S3/c1-15-9-11-16(12-10-15)28(24,25)20(19-8-5-13-27-19)14-22-21(23)17-6-3-4-7-18(17)26-2/h3-13,20H,14H2,1-2H3,(H,22,23)