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

Systemtic Name: [4-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[isopropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[[4-(methylthio)anilino]-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[isopropyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C25H25F3N2O4S2 MolecularWeight: 538.60221

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H25F3N2O4S2/c1-17(2)30(24(31)29-20-9-13-22(35-3)14-10-20)16-18-7-11-21(12-8-18)34-36(32,33)23-6-4-5-19(15-23)25(26,27)28/h4-15,17H,16H2,1-3H3,(H,29,31)