N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C20H22N2O4S/c23-18(14-27-19-5-1-4-10-22(19)24)21-20(8-2-3-9-20)15-6-7-16-17(13-15)26-12-11-25-16/h1,4-7,10,13H,2-3,8-9,11-12,14H2,(H,21,23)