[4-methoxy-7-(pyridin-4-ylcarbamoyl)spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-yl]methanesulfonate

Systemtic Name: [4-methoxy-7-(pyridin-4-ylcarbamoyl)spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-yl]methanesulfonate Openeye Name: [4-methoxy-7-(4-pyridylcarbamoyl)spiro[3H-benzofuran-2,1'-cyclopentane]-3-yl]methanesulfonate CAS Name: [4-methoxy-7-[oxo-(pyridin-4-ylamino)methyl]-3-spiro[3H-benzofuran-2,1'-cyclopentane]yl]methanesulfonate IUPAC Name: [4-methoxy-7-(pyridin-4-ylcarbamoyl)spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-yl]methanesulfonate Traditional Name: [4-methoxy-7-(4-pyridylcarbamoyl)spiro[coumaran-2,1'-cyclopentane]-3-yl]methanesulfonate Formula: C20H21N2O6S- MolecularWeight: 417.45554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(C3(CCCC3)OC2=C(C=C1)C(=O)NC4=CC=NC=C4)CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C2C(C3(CCCC3)OC2=C(C=C1)C(=O)NC4=CC=NC=C4)CS(=O)(=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-27-16-5-4-14(19(23)22-13-6-10-21-11-7-13)18-17(16)15(12-29(24,25)26)20(28-18)8-2-3-9-20/h4-7,10-11,15H,2-3,8-9,12H2,1H3,(H,21,22,23)(H,24,25,26)/p-1