[5-[[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2-fluorophenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2-fluoroanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(2-fluorophenyl)carbamoyl-isobutyl-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(CC(C)C)C(=O)NC2=CC=CC=C2F)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC=C2F)OC

InChI

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