[4-[[3,3-dimethylbutanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3,3-dimethylbutanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(3,3-dimethyl-1-oxobutyl)-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H27NO4S/c1-21(2,3)14-20(23)22(15-17-8-6-5-7-9-17)16-18-10-12-19(13-11-18)26-27(4,24)25/h5-13H,14-16H2,1-4H3