N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-ethyl-N-piperonyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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