[5-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[(3-fluorobenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO5S/c1-14(2)23(21(24)17-7-6-8-18(22)12-17)13-16-9-10-19(27-5)20(11-16)28-29(25,26)15(3)4/h6-12,14-15H,13H2,1-5H3