[4-[[(3-bromophenyl)carbonyl-butan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-[[(3-bromophenyl)carbonyl-butan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[(3-bromobenzoyl)-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[(3-bromophenyl)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(3-bromobenzoyl)-butan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(3-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=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

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