[2-methoxy-5-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-methoxy-5-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[isopropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[[[[4-(methylthio)anilino]-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[isopropyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C26H27F3N2O5S2 MolecularWeight: 568.62819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H27F3N2O5S2/c1-17(2)31(25(32)30-20-9-11-21(37-4)12-10-20)16-18-8-13-23(35-3)24(14-18)36-38(33,34)22-7-5-6-19(15-22)26(27,28)29/h5-15,17H,16H2,1-4H3,(H,30,32)