[3-[1-[2-(1-benzofuran-3-yl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]methanesulfonic acid

Systemtic Name: [3-[1-[2-(1-benzofuran-3-yl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]methanesulfonic acid Openeye Name: [3-[1-[[2-(benzofuran-3-yl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]methanesulfonic acid CAS Name: [3-[1-[[2-(3-benzofuranyl)-1-oxoethyl]-methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]methanesulfonic acid IUPAC Name: [3-[1-[[2-(1-benzofuran-3-yl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]methanesulfonic acid Traditional Name: [3-[1-[[2-(benzofuran-3-yl)acetyl]-methyl-amino]-2-pyrrolidino-ethyl]phenoxy]methanesulfonic acid Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCCC1)C2=CC(=CC=C2)OCS(=O)(=O)O)C(=O)CC3=COC4=CC=CC=C43

Isomeric SMILES

CN(C(CN1CCCC1)C2=CC(=CC=C2)OCS(=O)(=O)O)C(=O)CC3=COC4=CC=CC=C43

InChI

InChI=1S/C24H28N2O6S/c1-25(24(27)14-19-16-31-23-10-3-2-9-21(19)23)22(15-26-11-4-5-12-26)18-7-6-8-20(13-18)32-17-33(28,29)30/h2-3,6-10,13,16,22H,4-5,11-12,14-15,17H2,1H3,(H,28,29,30)