[3-[[[(2S)-butan-2-yl]-thiophen-2-ylcarbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-thiophen-2-ylcarbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[[(1S)-1-methylpropyl]-(thiophene-2-carbonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2S)-butan-2-yl]-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(thiophene-2-carbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[[(1S)-1-methylpropyl]-(2-thenoyl)amino]methyl]phenyl] ester Formula: C17H21NO4S2 MolecularWeight: 367.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=CS2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C17H21NO4S2/c1-4-13(2)18(17(19)16-9-6-10-23-16)12-14-7-5-8-15(11-14)22-24(3,20)21/h5-11,13H,4,12H2,1-3H3/t13-/m0/s1