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

Systemtic Name: [4-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[2-dimethylaminoethyl-[(2-fluorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3F

Isomeric SMILES

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

InChI

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