2-(2,4-dimethylphenyl)-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole Openeye Name: 2-(2,4-dimethylphenyl)-4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]oxazole IUPAC Name: 2-(2,4-dimethylphenyl)-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole Traditional Name: 2-(2,4-dimethylphenyl)-4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]oxazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C22H25N3O3S2/c1-16-6-8-20(17(2)12-16)22-24-18(14-28-22)15-29-21-9-7-19(13-23-21)30(26,27)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11,15H2,1-2H3