2-[7-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-2,3-dihydro-1-benzofuran-5-yl]ethyl methanesulfonate

Systemtic Name: 2-[7-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-2,3-dihydro-1-benzofuran-5-yl]ethyl methanesulfonate Openeye Name: 2-[7-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-2,3-dihydrobenzofuran-5-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[7-[[[(2S)-1-ethyl-2-pyrrolidinyl]methylamino]-oxomethyl]-2,3-dihydrobenzofuran-5-yl]ethyl ester IUPAC Name: 2-[7-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-2,3-dihydro-1-benzofuran-5-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[7-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]coumaran-5-yl]ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC(=CC3=C2OCC3)CCOS(=O)(=O)C

Isomeric SMILES

CCN1CCC[C@H]1CNC(=O)C2=CC(=CC3=C2OCC3)CCOS(=O)(=O)C

InChI

InChI=1S/C19H28N2O5S/c1-3-21-8-4-5-16(21)13-20-19(22)17-12-14(6-10-26-27(2,23)24)11-15-7-9-25-18(15)17/h11-12,16H,3-10,13H2,1-2H3,(H,20,22)/t16-/m0/s1