[3-[[butan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[sec-butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[oxo-[2-(trifluoromethyl)anilino]methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[sec-butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C21H25F3N2O4S MolecularWeight: 458.49441

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H25F3N2O4S/c1-4-15(3)26(14-16-9-8-10-17(13-16)30-31(28,29)5-2)20(27)25-19-12-7-6-11-18(19)21(22,23)24/h6-13,15H,4-5,14H2,1-3H3,(H,25,27)