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

Systemtic Name: [3-[[(3-fluorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[(3-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO5S/c1-15(2)28(24,25)27-19-9-4-6-16(12-19)14-22(10-11-26-3)20(23)17-7-5-8-18(21)13-17/h4-9,12-13,15H,10-11,14H2,1-3H3