[4-[[(2-bromophenyl)carbamoyl-butan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(2-bromophenyl)carbamoyl-butan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2-bromophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2-bromoanilino)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-bromophenyl)carbamoyl-butan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2-bromophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C24H24BrFN2O4S MolecularWeight: 535.425763

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)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C24H24BrFN2O4S/c1-3-17(2)28(24(29)27-23-7-5-4-6-22(23)25)16-18-8-12-20(13-9-18)32-33(30,31)21-14-10-19(26)11-15-21/h4-15,17H,3,16H2,1-2H3,(H,27,29)