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

Systemtic Name: [5-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-fluorophenyl)methyl-(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(4-fluorophenyl)methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-fluorobenzyl)-(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27FN2O5S MolecularWeight: 438.512883

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)NC(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)NC(C)C)OC

InChI

InChI=1S/C21H27FN2O5S/c1-5-30(26,27)29-20-12-17(8-11-19(20)28-4)14-24(21(25)23-15(2)3)13-16-6-9-18(22)10-7-16/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)