N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(2-thienyl)-2-tosyl-ethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C20H18F3NO4S3 MolecularWeight: 489.55143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3NO4S3/c1-14-7-9-16(10-8-14)30(25,26)19(18-6-3-11-29-18)13-24-31(27,28)17-5-2-4-15(12-17)20(21,22)23/h2-12,19,24H,13H2,1H3