[4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[butanoyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2R)-butan-2-yl]-(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[butyryl-[(1R)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-5-8-17(19)18(14(4)6-2)13-15-9-11-16(12-10-15)22-23(20,21)7-3/h9-12,14H,5-8,13H2,1-4H3/t14-/m1/s1