[4-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(isopropylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[(4-fluorophenyl)methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[(4-fluorobenzyl)-(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN2O5S/c1-18(2)27-25(29)28(16-19-4-8-21(26)9-5-19)17-20-6-10-23(11-7-20)33-34(30,31)24-14-12-22(32-3)13-15-24/h4-15,18H,16-17H2,1-3H3,(H,27,29)