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

Systemtic Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S2/c25-20(23-11-3-4-15-12-16(24(26)27)5-7-18(15)23)14-30-19-8-6-17(13-21-19)31(28,29)22-9-1-2-10-22/h5-8,12-13H,1-4,9-11,14H2