[4-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[(4-fluorophenyl)methylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CNCC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CNCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O4S/c1-16(26)25-20-8-12-22(13-9-20)30(27,28)29-21-10-4-18(5-11-21)15-24-14-17-2-6-19(23)7-3-17/h2-13,24H,14-15H2,1H3,(H,25,26)