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

Systemtic Name: [3-[[butan-2-yl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-methylsulfanylphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[[4-(methylthio)phenyl]carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C25H27FN2O4S2 MolecularWeight: 502.621283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O4S2/c1-4-18(2)28(25(29)27-21-10-12-23(33-3)13-11-21)17-19-6-5-7-22(16-19)32-34(30,31)24-14-8-20(26)9-15-24/h5-16,18H,4,17H2,1-3H3,(H,27,29)