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

Systemtic Name: [4-[[(2-fluorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[(2-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[(2-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[(2-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=C(C=C1)CN(CCOC)C(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCOC)C(=O)C2=CC=CC=C2F

InChI

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