6-methoxy-2'-(phenylsulfonylmethyl)spiro[1H-isochromene-4,1'-cyclopentane]-3-one

Systemtic Name: 6-methoxy-2'-(phenylsulfonylmethyl)spiro[1H-isochromene-4,1'-cyclopentane]-3-one Openeye Name: 2-(benzenesulfonylmethyl)-6'-methoxy-spiro[cyclopentane-1,4'-isochromane]-3'-one CAS Name: 2'-(benzenesulfonylmethyl)-6-methoxy-3-spiro[3,4-dihydro-1H-2-benzopyran-4,1'-cyclopentane]one IUPAC Name: 2'-(benzenesulfonylmethyl)-6-methoxyspiro[1H-isochromene-4,1'-cyclopentane]-3-one Traditional Name: 2-(besylmethyl)-6'-methoxy-spiro[cyclopentane-1,4'-isochroman]-3'-one Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(COC(=O)C23CCCC3CS(=O)(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

COC1=CC2=C(COC(=O)C23CCCC3CS(=O)(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C21H22O5S/c1-25-17-10-9-15-13-26-20(22)21(19(15)12-17)11-5-6-16(21)14-27(23,24)18-7-3-2-4-8-18/h2-4,7-10,12,16H,5-6,11,13-14H2,1H3