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

Systemtic Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-methyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-methyl-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S2/c1-15-8-10-18(11-9-15)27(24,25)20(19-7-4-12-26-19)14-22-21(23)17-6-3-5-16(2)13-17/h3-13,20H,14H2,1-2H3,(H,22,23)