[5-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H22FNO7S2 MolecularWeight: 447.498183

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H22FNO7S2/c1-25-11-10-20(29(23,24)16-7-5-15(19)6-8-16)13-14-4-9-17(26-2)18(12-14)27-28(3,21)22/h4-9,12H,10-11,13H2,1-3H3