[4-[[tert-butylcarbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[tert-butylcarbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(tert-butylcarbamoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(tert-butylamino)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(tert-butylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(tert-butylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-20(2,3)21-19(23)22(14-16-8-6-5-7-9-16)15-17-10-12-18(13-11-17)26-27(4,24)25/h5-13H,14-15H2,1-4H3,(H,21,23)