8-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]sulfanylquinoline

Systemtic Name: 8-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]sulfanylquinoline Openeye Name: 8-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]sulfanylquinoline CAS Name: 8-[[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]thio]quinoline IUPAC Name: 8-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]sulfanylquinoline Traditional Name: 8-[[5-(4-mesylpiperazino)-2-nitro-phenyl]thio]quinoline Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H20N4O4S2/c1-30(27,28)23-12-10-22(11-13-23)16-7-8-17(24(25)26)19(14-16)29-18-6-2-4-15-5-3-9-21-20(15)18/h2-9,14H,10-13H2,1H3