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

Systemtic Name: [2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[2-dimethylaminoethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[2-dimethylaminoethyl(isobutyryl)amino]methyl]phenyl] ester Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCN(C)C)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C(=O)N(CCN(C)C)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H27FN2O4S/c1-16(2)21(25)24(14-13-23(3)4)15-17-7-5-6-8-20(17)28-29(26,27)19-11-9-18(22)10-12-19/h5-12,16H,13-15H2,1-4H3