[3-[[butan-2-yl-[3-(trifluoromethyl)phenyl]carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl-[3-(trifluoromethyl)phenyl]carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[sec-butyl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[sec-butyl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] ester Formula: C20H22F3NO4S MolecularWeight: 429.45319

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H22F3NO4S/c1-4-14(2)24(13-15-7-5-10-18(11-15)28-29(3,26)27)19(25)16-8-6-9-17(12-16)20(21,22)23/h5-12,14H,4,13H2,1-3H3