[2-methoxy-5-[[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[oxo-[2-(trifluoromethyl)anilino]methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C22H27F3N2O5S MolecularWeight: 488.52039

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC=C2C(F)(F)F)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC=C2C(F)(F)F)OC

InChI

InChI=1S/C22H27F3N2O5S/c1-5-33(29,30)32-20-12-16(10-11-19(20)31-4)14-27(13-15(2)3)21(28)26-18-9-7-6-8-17(18)22(23,24)25/h6-12,15H,5,13-14H2,1-4H3,(H,26,28)