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

Systemtic Name: [3-[1-[2-(1-benzofuran-2-yl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]methanesulfonic acid Openeye Name: [3-[1-[[2-(benzofuran-2-yl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]methanesulfonic acid CAS Name: [3-[1-[[2-(2-benzofuranyl)-1-oxoethyl]-methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]methanesulfonic acid IUPAC Name: [3-[1-[[2-(1-benzofuran-2-yl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]methanesulfonic acid Traditional Name: [3-[1-[[2-(benzofuran-2-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=CC4=CC=CC=C4O3

Isomeric SMILES

CN(C(CN1CCCC1)C2=CC(=CC=C2)OCS(=O)(=O)O)C(=O)CC3=CC4=CC=CC=C4O3

InChI

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