[2-(2-chloranylethanoylamino)-3-(trifluoromethyl)phenyl]methyl-methyl-phenyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [2-(2-chloranylethanoylamino)-3-(trifluoromethyl)phenyl]methyl-methyl-phenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [2-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]methyl-methyl-phenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [2-[(2-chloro-1-oxoethyl)amino]-3-(trifluoromethyl)phenyl]methyl-methyl-phenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [2-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]methyl-methyl-phenylsulfanium; 4-methylbenzenesulfonate Traditional Name: [2-[(2-chloroacetyl)amino]-3-(trifluoromethyl)benzyl]-methyl-phenyl-sulfonium tosylate Formula: C24H23ClF3NO4S2 MolecularWeight: 546.02193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CC1=C(C(=CC=C1)C(F)(F)F)NC(=O)CCl)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CC1=C(C(=CC=C1)C(F)(F)F)NC(=O)CCl)C2=CC=CC=C2

InChI

InChI=1S/C17H15ClF3NOS.C7H8O3S/c1-24(13-7-3-2-4-8-13)11-12-6-5-9-14(17(19,20)21)16(12)22-15(23)10-18;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,10-11H2,1H3;2-5H,1H3,(H,8,9,10)