[5-[[(4-bromophenyl)carbonyl-butan-2-yl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-[[(4-bromophenyl)carbonyl-butan-2-yl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[(4-bromobenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[[(4-bromophenyl)-oxomethyl]-butan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-bromobenzoyl)-butan-2-ylamino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[(4-bromobenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C26H25BrF3NO5S MolecularWeight: 600.44461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrF3NO5S/c1-4-17(2)31(25(32)19-9-11-21(27)12-10-19)16-18-8-13-23(35-3)24(14-18)36-37(33,34)22-7-5-6-20(15-22)26(28,29)30/h5-15,17H,4,16H2,1-3H3