[4-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[(3-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO4S/c1-14(2)22(20(23)17-6-5-7-18(21)12-17)13-16-8-10-19(11-9-16)26-27(24,25)15(3)4/h5-12,14-15H,13H2,1-4H3