[3-[[(3-chloranyl-2,2-dimethyl-propanoyl)-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(3-chloranyl-2,2-dimethyl-propanoyl)-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3-chloro-2,2-dimethyl-propanoyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(3-chloro-2,2-dimethyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-chloro-2,2-dimethylpropanoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3-chloro-2,2-dimethyl-propanoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C21H25ClFNO4S MolecularWeight: 441.943903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClFNO4S/c1-15(2)24(20(25)21(3,4)14-22)13-16-6-5-7-18(12-16)28-29(26,27)19-10-8-17(23)9-11-19/h5-12,15H,13-14H2,1-4H3