[3-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-fluorophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-fluorophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C19H24FNO5S2 MolecularWeight: 429.525963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FNO5S2/c1-4-27(22,23)26-18-7-5-6-16(12-18)14-21(13-15(2)3)28(24,25)19-10-8-17(20)9-11-19/h5-12,15H,4,13-14H2,1-3H3