N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H25N3O5S2/c1-15(21(25)23-16-5-7-18-19(13-16)29-12-11-28-18)30-20-8-6-17(14-22-20)31(26,27)24-9-3-2-4-10-24/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,25)