N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O5S2/c1-2-24(15-17-5-7-19-20(13-17)30-12-11-29-19)22(26)16-31-21-8-6-18(14-23-21)32(27,28)25-9-3-4-10-25/h5-8,13-14H,2-4,9-12,15-16H2,1H3