[3-[[(2,4-dimethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(2,4-dimethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2,4-dimethoxyphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2,4-dimethoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2,4-dimethoxyphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C25H27FN2O6S MolecularWeight: 502.555083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O6S/c1-17(2)28(25(29)27-23-13-10-20(32-3)15-24(23)33-4)16-18-6-5-7-21(14-18)34-35(30,31)22-11-8-19(26)9-12-22/h5-15,17H,16H2,1-4H3,(H,27,29)