[4-[[2-methylpropyl-[3-(trifluoromethyl)phenyl]carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl-[3-(trifluoromethyl)phenyl]carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl-[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] ester Formula: C21H24F3NO4S MolecularWeight: 443.47977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F3NO4S/c1-4-30(27,28)29-19-10-8-16(9-11-19)14-25(13-15(2)3)20(26)17-6-5-7-18(12-17)21(22,23)24/h5-12,15H,4,13-14H2,1-3H3