N-(1,3-benzodioxol-5-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]acetamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O6S2/c25-20(22-14-4-6-18-19(10-14)29-13-28-18)12-31-21-23-16-11-15(5-7-17(16)30-21)32(26,27)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12-13H2,(H,22,25)