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

Systemtic Name: [3-[[furan-2-ylmethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl-[(4-isopropylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-[oxo-(4-propan-2-ylanilino)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(p-cumenylcarbamoyl)amino]methyl]phenyl] ester Formula: C28H27FN2O5S MolecularWeight: 522.587783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27FN2O5S/c1-20(2)22-8-12-24(13-9-22)30-28(32)31(19-26-7-4-16-35-26)18-21-5-3-6-25(17-21)36-37(33,34)27-14-10-23(29)11-15-27/h3-17,20H,18-19H2,1-2H3,(H,30,32)