2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21NO5S2/c22-18(14-27-16-5-8-19-20(13-16)26-12-11-25-19)15-3-6-17(7-4-15)28(23,24)21-9-1-2-10-21/h3-8,13H,1-2,9-12,14H2