[5-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[ethylcarbamoyl-(4-fluorobenzyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H25FN2O5S MolecularWeight: 424.486303

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC=C(C=C1)F)CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC

Isomeric SMILES

CCNC(=O)N(CC1=CC=C(C=C1)F)CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC

InChI

InChI=1S/C20H25FN2O5S/c1-4-22-20(24)23(13-15-6-9-17(21)10-7-15)14-16-8-11-18(27-3)19(12-16)28-29(25,26)5-2/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)