4-(1-adamantyl)-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-pyrazole

Systemtic Name: 4-(1-adamantyl)-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-pyrazole Openeye Name: 4-(1-adamantyl)-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-pyrazole CAS Name: 4-(1-adamantyl)-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole IUPAC Name: 4-(1-adamantyl)-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole Traditional Name: 4-(1-adamantyl)-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-pyrazole Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C)C)C

InChI

InChI=1S/C26H36N2O2S/c1-14-15(2)17(4)25(18(5)16(14)3)31(29,30)28-20(7)24(19(6)27-28)26-11-21-8-22(12-26)10-23(9-21)13-26/h21-23H,8-13H2,1-7H3