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

Systemtic Name: [5-[[butan-2-yl-(4-phenylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [2-methoxy-5-[[(4-phenylbenzoyl)-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[butan-2-yl-[oxo-(4-phenylphenyl)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-phenylbenzoyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[[(4-phenylbenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C32H30F3NO5S MolecularWeight: 597.64451

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)C4=CC=CC=C4

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)C4=CC=CC=C4

InChI

InChI=1S/C32H30F3NO5S/c1-4-22(2)36(31(37)26-16-14-25(15-17-26)24-9-6-5-7-10-24)21-23-13-18-29(40-3)30(19-23)41-42(38,39)28-12-8-11-27(20-28)32(33,34)35/h5-20,22H,4,21H2,1-3H3