2-[7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-3-oxidanyl-3-bicyclo[2.2.1]heptanyl]propanenitrile

Systemtic Name: 2-[7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-3-oxidanyl-3-bicyclo[2.2.1]heptanyl]propanenitrile Openeye Name: 2-[2-hydroxy-7,7-dimethyl-1-[[4-(o-tolyl)piperazin-1-yl]sulfonylmethyl]norbornan-2-yl]propanenitrile CAS Name: 2-[3-hydroxy-7,7-dimethyl-4-[[4-(2-methylphenyl)-1-piperazinyl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanyl]propanenitrile IUPAC Name: 2-[3-hydroxy-7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanyl]propanenitrile Traditional Name: 2-[2-hydroxy-7,7-dimethyl-1-[[4-(o-tolyl)piperazino]sulfonylmethyl]norbornan-2-yl]propionitrile Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)CC4(C(C)C#N)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)CC4(C(C)C#N)O

InChI

InChI=1S/C24H35N3O3S/c1-18-7-5-6-8-21(18)26-11-13-27(14-12-26)31(29,30)17-23-10-9-20(22(23,3)4)15-24(23,28)19(2)16-25/h5-8,19-20,28H,9-15,17H2,1-4H3