[3-[[(2-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[(2-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[(2-fluorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[[(2-fluorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[(2-fluorobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C26H22FNO6S MolecularWeight: 495.519383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H22FNO6S/c1-32-20-11-13-23(14-12-20)35(30,31)34-21-7-4-6-19(16-21)17-28(18-22-8-5-15-33-22)26(29)24-9-2-3-10-25(24)27/h2-16H,17-18H2,1H3