[3-[[[3,5-bis(chloranyl)phenyl]carbonyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[[3,5-bis(chloranyl)phenyl]carbonyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(3,5-dichlorobenzoyl)-isobutyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(3,5-dichlorophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dichlorobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(3,5-dichlorobenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C25H22Cl2F3NO4S MolecularWeight: 560.41269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C25H22Cl2F3NO4S/c1-16(2)14-31(24(32)18-10-20(26)13-21(27)11-18)15-17-5-3-7-22(9-17)35-36(33,34)23-8-4-6-19(12-23)25(28,29)30/h3-13,16H,14-15H2,1-2H3