[3-[[2-(4-fluorophenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-(4-fluorophenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[2-(4-fluorophenyl)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[2-(4-fluorophenyl)acetyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[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=CC(=C1)CN(C(C)C)C(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

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