[4-chloranyl-2-[[2-dimethylaminoethyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C20H24ClFN2O5S MolecularWeight: 458.931363

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC

Isomeric SMILES

CN(C)CCN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC

InChI

InChI=1S/C20H24ClFN2O5S/c1-23(2)10-11-24(20(25)14-28-3)13-15-12-16(21)4-9-19(15)29-30(26,27)18-7-5-17(22)6-8-18/h4-9,12H,10-11,13-14H2,1-3H3