(3R)-6-bromanyl-3-(4-methylphenyl)sulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3R)-6-bromanyl-3-(4-methylphenyl)sulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-6-bromo-3-(1-piperidylmethyl)-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3R)-6-bromo-3-[(4-methylphenyl)thio]-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-bromo-3-(4-methylphenyl)sulfanyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-6-bromo-3-(piperidinomethyl)-3-(p-tolylthio)chroman-4-one Formula: C22H24BrNO2S MolecularWeight: 446.40046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C2=O)C=C(C=C3)Br)CN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@]2(COC3=C(C2=O)C=C(C=C3)Br)CN4CCCCC4

InChI

InChI=1S/C22H24BrNO2S/c1-16-5-8-18(9-6-16)27-22(14-24-11-3-2-4-12-24)15-26-20-10-7-17(23)13-19(20)21(22)25/h5-10,13H,2-4,11-12,14-15H2,1H3/t22-/m1/s1