6-methylsulfonyl-1'-(phenylcarbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

Systemtic Name: 6-methylsulfonyl-1'-(phenylcarbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one Openeye Name: 1'-benzoyl-6-methylsulfonyl-spiro[chromane-2,4'-piperidine]-4-one CAS Name: 1'-benzoyl-6-methylsulfonyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]one IUPAC Name: 1'-benzoyl-6-methylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one Traditional Name: 1'-benzoyl-6-mesyl-spiro[chroman-2,4'-piperidine]-4-one Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)OC3(CCN(CC3)C(=O)C4=CC=CC=C4)CC2=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)OC3(CCN(CC3)C(=O)C4=CC=CC=C4)CC2=O

InChI

InChI=1S/C21H21NO5S/c1-28(25,26)16-7-8-19-17(13-16)18(23)14-21(27-19)9-11-22(12-10-21)20(24)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3