2-(2-chlorophenyl)sulfanyl-8-(1-methyl-3-oxidanyl-piperidin-4-yl)-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-8-(1-methyl-3-oxidanyl-piperidin-4-yl)-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 2-(2-chlorophenyl)sulfanyl-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidyl)chromen-4-one CAS Name: 2-[(2-chlorophenyl)thio]-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-1-benzopyran-4-one IUPAC Name: 2-(2-chlorophenyl)sulfanyl-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)chromen-4-one Traditional Name: 2-[(2-chlorophenyl)thio]-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidyl)chromone Formula: C21H20ClNO5S MolecularWeight: 433.9052

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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=C4Cl)O)O

Isomeric SMILES

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)SC4=CC=CC=C4Cl)O)O

InChI

InChI=1S/C21H20ClNO5S/c1-23-7-6-11(16(27)10-23)19-13(24)8-14(25)20-15(26)9-18(28-21(19)20)29-17-5-3-2-4-12(17)22/h2-5,8-9,11,16,24-25,27H,6-7,10H2,1H3