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

Systemtic Name: [4-[[(2-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[(2-fluorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[[(2-fluorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[(2-fluorobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C27H23FN2O6S MolecularWeight: 522.544723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H23FN2O6S/c1-19(31)29-21-10-14-24(15-11-21)37(33,34)36-22-12-8-20(9-13-22)17-30(18-23-5-4-16-35-23)27(32)25-6-2-3-7-26(25)28/h2-16H,17-18H2,1H3,(H,29,31)