[4-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(3,5-dimethoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(3,5-dimethoxyphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C26H29FN2O6S MolecularWeight: 516.581663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C26H29FN2O6S/c1-18(2)16-29(26(30)28-21-13-23(33-3)15-24(14-21)34-4)17-19-5-9-22(10-6-19)35-36(31,32)25-11-7-20(27)8-12-25/h5-15,18H,16-17H2,1-4H3,(H,28,30)