[2-methoxy-5-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[[oxo-(propan-2-ylamino)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isopropyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27FN2O5S MolecularWeight: 438.512883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O5S/c1-14(2)23-21(25)24(15(3)4)13-16-6-11-19(28-5)20(12-16)29-30(26,27)18-9-7-17(22)8-10-18/h6-12,14-15H,13H2,1-5H3,(H,23,25)