[5-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24ClFN2O5S MolecularWeight: 458.931363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClFN2O5S/c1-5-30(26,27)29-19-10-14(6-9-18(19)28-4)12-24(13(2)3)20(25)23-15-7-8-17(22)16(21)11-15/h6-11,13H,5,12H2,1-4H3,(H,23,25)