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

Systemtic Name: [4-chloranyl-2-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[[(3-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(3-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C19H21ClFNO4S MolecularWeight: 413.890743

Click to see the large picture

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=C2)F

Isomeric SMILES

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

InChI

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