8-[(3R,4S)-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)-2-phenylsulfanyl-chromen-4-one

Systemtic Name: 8-[(3R,4S)-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)-2-phenylsulfanyl-chromen-4-one Openeye Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-2-phenylsulfanyl-chromen-4-one CAS Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidinyl]-2-(phenylthio)-1-benzopyran-4-one IUPAC Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2-phenylsulfanylchromen-4-one Traditional Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-2-(phenylthio)chromone Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)SC4=CC=CC=C4)O)O

Isomeric SMILES

CN1CC[C@H]([C@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)SC4=CC=CC=C4)O)O

InChI

InChI=1S/C21H21NO5S/c1-22-8-7-13(17(26)11-22)19-14(23)9-15(24)20-16(25)10-18(27-21(19)20)28-12-5-3-2-4-6-12/h2-6,9-10,13,17,23-24,26H,7-8,11H2,1H3/t13-,17+/m1/s1