2-[(4-methylphenyl)sulfonyl-[4-(trifluoromethyloxy)phenyl]amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-[4-(trifluoromethyloxy)phenyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[N-(p-tolylsulfonyl)-4-(trifluoromethoxy)anilino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethoxy)anilino]ethyl ester IUPAC Name: 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethoxy)anilino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[N-tosyl-4-(trifluoromethoxy)anilino]ethyl ester Formula: C23H22F3NO6S2 MolecularWeight: 529.54909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C23H22F3NO6S2/c1-17-3-11-21(12-4-17)34(28,29)27(19-7-9-20(10-8-19)33-23(24,25)26)15-16-32-35(30,31)22-13-5-18(2)6-14-22/h3-14H,15-16H2,1-2H3