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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-cyclopentylcarbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclopentanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]-[cyclopentyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(cyclopentanecarbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[cyclopentanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)C2CCCC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)C2CCCC2

InChI

InChI=1S/C19H29NO4S/c1-4-15(3)20(19(21)17-8-6-7-9-17)14-16-10-12-18(13-11-16)24-25(22,23)5-2/h10-13,15,17H,4-9,14H2,1-3H3/t15-/m0/s1