[4-chloranyl-2-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-chloranyl-2-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[(3,3-dimethyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C17H26ClNO4S MolecularWeight: 375.91064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C17H26ClNO4S/c1-12(2)19(16(20)10-17(3,4)5)11-13-9-14(18)7-8-15(13)23-24(6,21)22/h7-9,12H,10-11H2,1-6H3