[3-[[[(2R)-butan-2-yl]-heptanoyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2R)-butan-2-yl]-heptanoyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[heptanoyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2R)-butan-2-yl]-(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2R)-butan-2-yl]-heptanoylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[enanthyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-5-8-9-10-14-20(22)21(17(4)6-2)16-18-12-11-13-19(15-18)25-26(23,24)7-3/h11-13,15,17H,5-10,14,16H2,1-4H3/t17-/m1/s1