[3-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[2-dimethylaminoethyl-[(2-fluorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CN(C)CCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3F

InChI

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