[3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[ethylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[ethylcarbamoyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[ethylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C21H21FN2O5S/c1-2-23-21(25)24(15-19-7-4-12-28-19)14-16-5-3-6-18(13-16)29-30(26,27)20-10-8-17(22)9-11-20/h3-13H,2,14-15H2,1H3,(H,23,25)