[4-[[2,2-dimethylpropanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2,2-dimethylpropanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(2,2-dimethylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(2,2-dimethyl-1-oxopropyl)-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(2,2-dimethylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(pivaloyl)amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4S/c1-20(2,3)19(22)21(14-16-8-6-5-7-9-16)15-17-10-12-18(13-11-17)25-26(4,23)24/h5-13H,14-15H2,1-4H3