[4-[[ethanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[ethanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[acetyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[acetyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[acetyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C19H22FNO4S MolecularWeight: 379.445683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)C(=O)C

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)C(=O)C

InChI

InChI=1S/C19H22FNO4S/c1-14(2)26(23,24)25-19-10-6-17(7-11-19)13-21(15(3)22)12-16-4-8-18(20)9-5-16/h4-11,14H,12-13H2,1-3H3