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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-ethanoyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[acetyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[acetyl-[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [4-[[acetyl-[(2S)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[acetyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO4S/c1-5-12(3)16(13(4)17)11-14-7-9-15(10-8-14)20-21(18,19)6-2/h7-10,12H,5-6,11H2,1-4H3/t12-/m0/s1