[4-[[(4-ethoxyphenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-ethoxyphenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-ethoxyphenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-ethoxyanilino)-oxomethyl]-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-ethoxyphenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorobenzyl)-(p-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C29H26F2N2O5S MolecularWeight: 552.588946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F

InChI

InChI=1S/C29H26F2N2O5S/c1-2-37-26-15-11-25(12-16-26)32-29(34)33(19-21-3-7-23(30)8-4-21)20-22-5-13-27(14-6-22)38-39(35,36)28-17-9-24(31)10-18-28/h3-18H,2,19-20H2,1H3,(H,32,34)