[4-chloranyl-2-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-chloranyl-2-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[3,3-dimethylbutanoyl(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[(3,3-dimethyl-1-oxobutyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[3,3-dimethylbutanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C19H24ClNO5S MolecularWeight: 413.91556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C

InChI

InChI=1S/C19H24ClNO5S/c1-19(2,3)11-18(22)21(13-16-6-5-9-25-16)12-14-10-15(20)7-8-17(14)26-27(4,23)24/h5-10H,11-13H2,1-4H3