[4-chloranyl-2-[(2-dimethylaminoethylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[(2-dimethylaminoethylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[(2-dimethylaminoethylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[(2-dimethylaminoethylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(2-dimethylaminoethylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[(2-dimethylaminoethylamino)methyl]phenyl] ester Formula: C17H20ClFN2O3S MolecularWeight: 386.868703

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(C)CCNCC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H20ClFN2O3S/c1-21(2)10-9-20-12-13-11-14(18)3-8-17(13)24-25(22,23)16-6-4-15(19)5-7-16/h3-8,11,20H,9-10,12H2,1-2H3