1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S2/c26-21(24-12-4-5-16-13-17(25(27)28)6-8-19(16)24)15-31-20-9-7-18(14-22-20)32(29,30)23-10-2-1-3-11-23/h6-9,13-14H,1-5,10-12,15H2