[3-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[dimethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[dimethylamino(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[dimethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S/c1-6-13(3)18(16(19)17(4)5)12-14-9-8-10-15(11-14)22-23(20,21)7-2/h8-11,13H,6-7,12H2,1-5H3/t13-/m0/s1