N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N3O5S2/c25-20(23-16-5-7-18-19(13-16)29-12-4-11-28-18)15-30-21-8-6-17(14-22-21)31(26,27)24-9-2-1-3-10-24/h5-8,13-14H,1-4,9-12,15H2,(H,23,25)