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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[tert-butylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[tert-butylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4S/c1-7-14(3)20(17(21)19-18(4,5)6)13-15-9-11-16(12-10-15)24-25(22,23)8-2/h9-12,14H,7-8,13H2,1-6H3,(H,19,21)/t14-/m0/s1