[3-[[[(2S)-butan-2-yl]-(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[(1S)-1-methylpropyl]-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[(1S)-1-methylpropyl]-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)CC2=CC=CS2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)CC2=CC=CS2

InChI

InChI=1S/C19H25NO4S2/c1-4-15(3)20(19(21)13-18-10-7-11-25-18)14-16-8-6-9-17(12-16)24-26(22,23)5-2/h6-12,15H,4-5,13-14H2,1-3H3/t15-/m0/s1