N-[[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidinyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[1-(piazthiol-5-ylmethyl)-3-piperidyl]methyl]-piperonylamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=NSN=C3C=C2)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=NSN=C3C=C2)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3S/c26-21(16-4-6-19-20(9-16)28-13-27-19)22-10-15-2-1-7-25(12-15)11-14-3-5-17-18(8-14)24-29-23-17/h3-6,8-9,15H,1-2,7,10-13H2,(H,22,26)