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

Systemtic Name: [3-[[(2-bromophenyl)carbonyl-butan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(2-bromobenzoyl)-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(2-bromophenyl)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-bromobenzoyl)-butan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(2-bromobenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C25H23BrF3NO4S MolecularWeight: 570.41863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C25H23BrF3NO4S/c1-3-17(2)30(24(31)22-12-4-5-13-23(22)26)16-18-8-6-10-20(14-18)34-35(32,33)21-11-7-9-19(15-21)25(27,28)29/h4-15,17H,3,16H2,1-2H3