[3-[[(3-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[(3-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[(3-fluorobenzoyl)-isobutyl-amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[(3-fluorobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[(3-fluorobenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO4S/c1-15(2)13-23(21(24)18-8-6-9-19(22)12-18)14-17-7-5-10-20(11-17)27-28(25,26)16(3)4/h5-12,15-16H,13-14H2,1-4H3