[4-[[cyclobutylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[cyclobutylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclobutanecarbonyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3CCC3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3CCC3

InChI

InChI=1S/C22H26FNO4S/c1-16(2)29(26,27)28-21-12-8-18(9-13-21)15-24(22(25)19-4-3-5-19)14-17-6-10-20(23)11-7-17/h6-13,16,19H,3-5,14-15H2,1-2H3