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

Systemtic Name: [3-[[(2-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[(2-fluorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[(2-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[(2-fluorobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H22FNO5S/c1-16(2)30(26,27)29-18-8-5-7-17(13-18)14-24(15-19-9-6-12-28-19)22(25)20-10-3-4-11-21(20)23/h3-13,16H,14-15H2,1-2H3