[4-[[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[tert-butylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-[(tert-butylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[tert-butylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C17H28N2O4S MolecularWeight: 356.48022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC(C)(C)C

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C17H28N2O4S/c1-7-13(2)19(16(20)18-17(3,4)5)12-14-8-10-15(11-9-14)23-24(6,21)22/h8-11,13H,7,12H2,1-6H3,(H,18,20)/t13-/m0/s1