6-bromanyl-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: 6-bromanyl-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6-bromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(1-piperidylmethyl)chroman-4-one CAS Name: 6-bromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6-bromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6-bromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(piperidinomethyl)chroman-4-one Formula: C22H23BrClNO2S MolecularWeight: 480.84552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OCC(C2=O)(CN3CCCCC3)SC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CC1=C(C=C2C(=C1)OCC(C2=O)(CN3CCCCC3)SC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C22H23BrClNO2S/c1-15-11-20-18(12-19(15)23)21(26)22(14-27-20,13-25-9-3-2-4-10-25)28-17-7-5-16(24)6-8-17/h5-8,11-12H,2-4,9-10,13-14H2,1H3