[(3R,5S)-5-[[(5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]methyl]-1-ethyl-pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [(3R,5S)-5-[[(5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]methyl]-1-ethyl-pyrrolidin-3-yl] methanesulfonate Openeye Name: [(3R,5S)-5-[[(5-bromo-2,3-dihydrobenzofuran-7-carbonyl)amino]methyl]-1-ethyl-pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(3R,5S)-5-[[[(5-bromo-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]methyl]-1-ethyl-3-pyrrolidinyl] ester IUPAC Name: [(3R,5S)-5-[[(5-bromo-2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]-1-ethylpyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(3R,5S)-5-[[(5-bromocoumaran-7-carbonyl)amino]methyl]-1-ethyl-pyrrolidin-3-yl] ester Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CC1CNC(=O)C2=CC(=CC3=C2OCC3)Br)OS(=O)(=O)C

Isomeric SMILES

CCN1C[C@@H](C[C@H]1CNC(=O)C2=CC(=CC3=C2OCC3)Br)OS(=O)(=O)C

InChI

InChI=1S/C17H23BrN2O5S/c1-3-20-10-14(25-26(2,22)23)8-13(20)9-19-17(21)15-7-12(18)6-11-4-5-24-16(11)15/h6-7,13-14H,3-5,8-10H2,1-2H3,(H,19,21)/t13-,14+/m0/s1