2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-1,3-benzothiazole Formula: C18H19N3O2S3 MolecularWeight: 405.55736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N3O2S3/c22-26(23,21-10-4-1-5-11-21)14-8-9-17(19-12-14)24-13-18-20-15-6-2-3-7-16(15)25-18/h2-3,6-9,12H,1,4-5,10-11,13H2