[4-[[butan-2-yl-(4-fluorophenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl-(4-fluorophenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-(4-fluorophenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(4-fluorophenyl)sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C23H23F2NO5S2 MolecularWeight: 495.559226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23F2NO5S2/c1-3-17(2)26(32(27,28)22-12-6-19(24)7-13-22)16-18-4-10-21(11-5-18)31-33(29,30)23-14-8-20(25)9-15-23/h4-15,17H,3,16H2,1-2H3