N-(1,3-benzodioxol-5-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H23N3O5S2/c1-14(20(24)22-15-5-7-17-18(11-15)28-13-27-17)29-19-8-6-16(12-21-19)30(25,26)23-9-3-2-4-10-23/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,22,24)