(5R)-5-(4-chlorophenyl)-2-(phenylsulfonylmethyl)-3-pyridin-2-ylsulfanyl-cyclohex-2-en-1-one

Systemtic Name: (5R)-5-(4-chlorophenyl)-2-(phenylsulfonylmethyl)-3-pyridin-2-ylsulfanyl-cyclohex-2-en-1-one Openeye Name: (5R)-2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)-3-(2-pyridylsulfanyl)cyclohex-2-en-1-one CAS Name: (5R)-2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)-3-(2-pyridinylthio)-1-cyclohex-2-enone IUPAC Name: (5R)-2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)-3-pyridin-2-ylsulfanylcyclohex-2-en-1-one Traditional Name: (5R)-2-(besylmethyl)-5-(4-chlorophenyl)-3-(2-pyridylthio)cyclohex-2-en-1-one Formula: C24H20ClNO3S2 MolecularWeight: 470.0035

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1SC2=CC=CC=N2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1[C@@H](CC(=O)C(=C1SC2=CC=CC=N2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClNO3S2/c25-19-11-9-17(10-12-19)18-14-22(27)21(16-31(28,29)20-6-2-1-3-7-20)23(15-18)30-24-8-4-5-13-26-24/h1-13,18H,14-16H2/t18-/m1/s1