6-methoxy-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-chromen-2-one

Systemtic Name: 6-methoxy-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-chromen-2-one Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]-6-methoxy-chromen-2-one CAS Name: 6-methoxy-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonyl-6-methoxychromen-2-one Traditional Name: 3-(4-benzylpiperidino)sulfonyl-6-methoxy-coumarin Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23NO5S/c1-27-19-7-8-20-18(14-19)15-21(22(24)28-20)29(25,26)23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3