[4-[[(3-chloranyl-2,2-dimethyl-propanoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-[[(3-chloranyl-2,2-dimethyl-propanoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[(3-chloro-2,2-dimethyl-propanoyl)-(2-furylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(3-chloro-2,2-dimethyl-1-oxopropyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-chloro-2,2-dimethylpropanoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(3-chloro-2,2-dimethyl-propanoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C24H23ClF3NO5S MolecularWeight: 529.95633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CO3

Isomeric SMILES

CC(C)(CCl)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CO3

InChI

InChI=1S/C24H23ClF3NO5S/c1-23(2,16-25)22(30)29(15-20-6-4-12-33-20)14-17-8-10-19(11-9-17)34-35(31,32)21-7-3-5-18(13-21)24(26,27)28/h3-13H,14-16H2,1-2H3