[4-[[2-(4-fluorophenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-(4-fluorophenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[2-(4-fluorophenyl)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[2-(4-fluorophenyl)acetyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO4S/c1-4-27(24,25)26-19-11-7-17(8-12-19)14-22(15(2)3)20(23)13-16-5-9-18(21)10-6-16/h5-12,15H,4,13-14H2,1-3H3