[3-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(3-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(3-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-bromophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(3-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C24H22BrF3N2O4S MolecularWeight: 571.40669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H22BrF3N2O4S/c1-16(2)30(23(31)29-20-9-5-8-19(25)14-20)15-17-6-3-10-21(12-17)34-35(32,33)22-11-4-7-18(13-22)24(26,27)28/h3-14,16H,15H2,1-2H3,(H,29,31)