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

Systemtic Name: [5-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-fluorophenyl)sulfonyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-fluorophenyl)sulfonyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H26FNO6S2 MolecularWeight: 459.551943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FNO6S2/c1-5-29(23,24)28-20-12-16(6-11-19(20)27-4)14-22(13-15(2)3)30(25,26)18-9-7-17(21)8-10-18/h6-12,15H,5,13-14H2,1-4H3