3-methyl-6-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]propan-2-yl]-2-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 3-methyl-6-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]propan-2-yl]-2-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-hydroxy-3-methyl-6-[1-methyl-1-[1-(p-tolylsulfonyl)indol-4-yl]ethyl]cyclohex-2-en-1-one CAS Name: 2-hydroxy-3-methyl-6-[2-[1-(4-methylphenyl)sulfonyl-4-indolyl]propan-2-yl]-1-cyclohex-2-enone IUPAC Name: 2-hydroxy-3-methyl-6-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]propan-2-yl]cyclohex-2-en-1-one Traditional Name: 2-hydroxy-3-methyl-6-[1-methyl-1-(1-tosylindol-4-yl)ethyl]cyclohex-2-en-1-one Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(CC1)C(C)(C)C2=C3C=CN(C3=CC=C2)S(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

CC1=C(C(=O)C(CC1)C(C)(C)C2=C3C=CN(C3=CC=C2)S(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C25H27NO4S/c1-16-8-11-18(12-9-16)31(29,30)26-15-14-19-20(6-5-7-22(19)26)25(3,4)21-13-10-17(2)23(27)24(21)28/h5-9,11-12,14-15,21,27H,10,13H2,1-4H3