[4-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C19H22ClFN2O4S MolecularWeight: 428.905383

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H22ClFN2O4S/c1-4-28(25,26)27-16-8-5-14(6-9-16)12-23(13(2)3)19(24)22-15-7-10-18(21)17(20)11-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)