[4-[[[(2S)-butan-2-yl]-(3-cyclopentylpropanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(3-cyclopentylpropanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]-(3-cyclopentyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(3-cyclopentylpropanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[3-cyclopentylpropanoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)CCC2CCCC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)CCC2CCCC2

InChI

InChI=1S/C21H33NO4S/c1-4-17(3)22(21(23)15-12-18-8-6-7-9-18)16-19-10-13-20(14-11-19)26-27(24,25)5-2/h10-11,13-14,17-18H,4-9,12,15-16H2,1-3H3/t17-/m0/s1