[5-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[(3-bromophenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[[(3-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-bromophenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[(3-bromophenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H24BrF3N2O5S MolecularWeight: 601.43267

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H24BrF3N2O5S/c1-16(2)31(24(32)30-20-8-5-7-19(26)14-20)15-17-10-11-22(35-3)23(12-17)36-37(33,34)21-9-4-6-18(13-21)25(27,28)29/h4-14,16H,15H2,1-3H3,(H,30,32)