N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(diethylsulfamoyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(diethylsulfamoyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: 2-[[5-(diethylsulfamoyl)-2-pyridyl]thio]-N-piperonyl-propionamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25N3O5S2/c1-4-23(5-2)30(25,26)16-7-9-19(21-12-16)29-14(3)20(24)22-11-15-6-8-17-18(10-15)28-13-27-17/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,22,24)