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

Systemtic Name: [4-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C18H22FNO5S2 MolecularWeight: 415.499383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO5S2/c1-14(2)12-20(27(23,24)18-10-6-16(19)7-11-18)13-15-4-8-17(9-5-15)25-26(3,21)22/h4-11,14H,12-13H2,1-3H3