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

Systemtic Name: 2-(4-methylphenyl)-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole Openeye Name: 4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-2-(p-tolyl)oxazole CAS Name: 2-(4-methylphenyl)-4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]oxazole IUPAC Name: 2-(4-methylphenyl)-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-oxazole Traditional Name: 4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-2-(p-tolyl)oxazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-16-5-7-17(8-6-16)21-23-18(14-27-21)15-28-20-10-9-19(13-22-20)29(25,26)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12,15H2,1H3