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

Systemtic Name: [4-[[butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[butylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[butylamino(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[butylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C23H25FN2O5S MolecularWeight: 460.518403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O5S/c1-2-3-14-25-23(27)26(17-21-5-4-15-30-21)16-18-6-10-20(11-7-18)31-32(28,29)22-12-8-19(24)9-13-22/h4-13,15H,2-3,14,16-17H2,1H3,(H,25,27)