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

Systemtic Name: [4-[[butan-2-yl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[benzylcarbamoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[benzylcarbamoyl(butan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[benzylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C25H27FN2O4S MolecularWeight: 470.556283

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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)NCC3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27FN2O4S/c1-3-19(2)28(25(29)27-17-20-7-5-4-6-8-20)18-21-9-13-23(14-10-21)32-33(30,31)24-15-11-22(26)12-16-24/h4-16,19H,3,17-18H2,1-2H3,(H,27,29)