8-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylquinoline Openeye Name: 8-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylquinoline CAS Name: 8-[[4-(1-adamantyl)-3,5-dimethyl-1-pyrazolyl]sulfonyl]quinoline IUPAC Name: 8-[4-(1-adamantyl)-3,5-dimethylpyrazol-1-yl]sulfonylquinoline Traditional Name: 8-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylquinoline Formula: C24H27N3O2S MolecularWeight: 421.55508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H27N3O2S/c1-15-22(24-12-17-9-18(13-24)11-19(10-17)14-24)16(2)27(26-15)30(28,29)21-7-3-5-20-6-4-8-25-23(20)21/h3-8,17-19H,9-14H2,1-2H3