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

Systemtic Name: [4-chloranyl-2-[[(2-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[[(2-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(2-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C19H21ClFNO4S MolecularWeight: 413.890743

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C2=CC=CC=C2F

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C19H21ClFNO4S/c1-4-27(24,25)26-18-10-9-15(20)11-14(18)12-22(13(2)3)19(23)16-7-5-6-8-17(16)21/h5-11,13H,4,12H2,1-3H3