[5-[[butan-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[sec-butyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[sec-butyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C26H26F4N2O5S MolecularWeight: 554.553653

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=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C26H26F4N2O5S/c1-4-17(2)32(25(33)31-21-10-6-19(7-11-21)26(28,29)30)16-18-5-14-23(36-3)24(15-18)37-38(34,35)22-12-8-20(27)9-13-22/h5-15,17H,4,16H2,1-3H3,(H,31,33)