4-(1-adamantyl)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3,5-dimethyl-pyrazole

Systemtic Name: 4-(1-adamantyl)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3,5-dimethyl-pyrazole Openeye Name: 4-(1-adamantyl)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3,5-dimethyl-pyrazole CAS Name: 4-(1-adamantyl)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole IUPAC Name: 4-(1-adamantyl)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole Traditional Name: 4-(1-adamantyl)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3,5-dimethyl-pyrazole Formula: C23H29ClN2O2S MolecularWeight: 433.00656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H29ClN2O2S/c1-13-6-21(14(2)5-20(13)24)29(27,28)26-16(4)22(15(3)25-26)23-10-17-7-18(11-23)9-19(8-17)12-23/h5-6,17-19H,7-12H2,1-4H3