[4-[[[(2S)-butan-2-yl]-(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]-[2-(2-thienyl)acetyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(1S)-1-methylpropyl]-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4S2/c1-4-14(2)19(18(20)12-17-6-5-11-24-17)13-15-7-9-16(10-8-15)23-25(3,21)22/h5-11,14H,4,12-13H2,1-3H3/t14-/m0/s1