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

Systemtic Name: [4-[[(3-ethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(3-ethylphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(3-ethylanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-ethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(3-ethylphenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C27H25FN2O5S MolecularWeight: 508.561203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C27H25FN2O5S/c1-2-20-5-3-6-23(17-20)29-27(31)30(19-25-7-4-16-34-25)18-21-8-12-24(13-9-21)35-36(32,33)26-14-10-22(28)11-15-26/h3-17H,2,18-19H2,1H3,(H,29,31)