[4-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-furylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-furanylmethyl-[(4-methoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-furfuryl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C26H23FN2O6S MolecularWeight: 510.534023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C26H23FN2O6S/c1-33-22-12-8-21(9-13-22)28-26(30)29(18-24-3-2-16-34-24)17-19-4-10-23(11-5-19)35-36(31,32)25-14-6-20(27)7-15-25/h2-16H,17-18H2,1H3,(H,28,30)