[5-[[[3,5-bis(trifluoromethyl)phenyl]carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[[3,5-bis(trifluoromethyl)phenyl]carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[[3,5-bis(trifluoromethyl)benzoyl]-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[3,5-bis(trifluoromethyl)benzoyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[[3,5-bis(trifluoromethyl)benzoyl]-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H23F6NO5S MolecularWeight: 527.477139

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC

InChI

InChI=1S/C22H23F6NO5S/c1-5-35(31,32)34-19-8-14(6-7-18(19)33-4)12-29(13(2)3)20(30)15-9-16(21(23,24)25)11-17(10-15)22(26,27)28/h6-11,13H,5,12H2,1-4H3