2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-piperidin-1-ylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-piperidin-1-ylsulfonyl-1,3-benzoxazole Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(1-piperidylsulfonyl)-1,3-benzoxazole CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-5-(1-piperidinylsulfonyl)-1,3-benzoxazole IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-piperidin-1-ylsulfonyl-1,3-benzoxazole Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-5-piperidinosulfonyl-1,3-benzoxazole Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3O3S3/c24-29(25,23-10-4-1-5-11-23)14-8-9-17-16(12-14)22-20(26-17)27-13-19-21-15-6-2-3-7-18(15)28-19/h2-3,6-9,12H,1,4-5,10-11,13H2