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

Systemtic Name: 3,5-dimethyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]isoxazole CAS Name: 3,5-dimethyl-4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]isoxazole Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H21N3O3S2/c1-12-15(13(2)22-18-12)11-23-16-7-6-14(10-17-16)24(20,21)19-8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3