[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-pyridyl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinyl]-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridyl]-(4-pyrrolidinosulfonylpiperazino)methanone Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H26N4O5S2/c27-22(24-10-12-26(13-11-24)33(28,29)25-8-1-2-9-25)18-4-3-7-23-21(18)32-17-5-6-19-20(16-17)31-15-14-30-19/h3-7,16H,1-2,8-15H2