[3-[[(4-fluorophenyl)methyl-(furan-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[(4-fluorophenyl)methyl-(furan-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[(4-fluorophenyl)methyl-(furan-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[(4-fluorophenyl)methyl-(furan-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[(4-fluorobenzyl)-(2-furoyl)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=C(C=C2)F)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CO3

InChI

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