[4-[[(4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorophenyl)sulfonyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C19H22FNO6S2 MolecularWeight: 443.509483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FNO6S2/c1-28(22,23)27-17-8-4-15(5-9-17)13-21(14-18-3-2-12-26-18)29(24,25)19-10-6-16(20)7-11-19/h4-11,18H,2-3,12-14H2,1H3