1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-2-[(4-nitrophenyl)thio]ethanone Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6S/c25-21(14-31-18-4-2-17(3-5-18)24(27)28)23-9-7-15(8-10-23)22(26)16-1-6-19-20(13-16)30-12-11-29-19/h1-6,13,15H,7-12,14H2