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

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl(isobutyryl)amino]methyl]phenyl] ester Formula: C21H26ClFN2O4S MolecularWeight: 456.958543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClFN2O4S/c1-15(2)21(26)25(12-11-24(3)4)14-16-13-17(22)5-10-20(16)29-30(27,28)19-8-6-18(23)7-9-19/h5-10,13,15H,11-12,14H2,1-4H3