(3R)-6-bromanyl-7-methyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-phenylsulfanyl-2H-chromen-4-one

Systemtic Name: (3R)-6-bromanyl-7-methyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-phenylsulfanyl-2H-chromen-4-one Openeye Name: (3R)-6-bromo-7-methyl-3-[[(3R)-3-methyl-1-piperidyl]methyl]-3-phenylsulfanyl-chroman-4-one CAS Name: (3R)-6-bromo-7-methyl-3-[[(3R)-3-methyl-1-piperidinyl]methyl]-3-(phenylthio)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-bromo-7-methyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-phenylsulfanyl-2H-chromen-4-one Traditional Name: (3R)-6-bromo-7-methyl-3-[[(3R)-3-methylpiperidino]methyl]-3-(phenylthio)chroman-4-one Formula: C23H26BrNO2S MolecularWeight: 460.42704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2(COC3=CC(=C(C=C3C2=O)Br)C)SC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CCCN(C1)C[C@]2(COC3=CC(=C(C=C3C2=O)Br)C)SC4=CC=CC=C4

InChI

InChI=1S/C23H26BrNO2S/c1-16-7-6-10-25(13-16)14-23(28-18-8-4-3-5-9-18)15-27-21-11-17(2)20(24)12-19(21)22(23)26/h3-5,8-9,11-12,16H,6-7,10,13-15H2,1-2H3/t16-,23-/m1/s1