6-fluoranyl-8-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 6-fluoranyl-8-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 6-fluoro-8-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 6-fluoro-8-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 6-fluoro-8-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 6-fluoro-8-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]quinoline Formula: C21H21FN4O5S MolecularWeight: 460.478643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C4C(=CC(=C3)F)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C4C(=CC(=C3)F)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O5S/c1-31-20-5-4-18(13-19(20)26(27)28)32(29,30)25-9-7-24(8-10-25)14-16-12-17(22)11-15-3-2-6-23-21(15)16/h2-6,11-13H,7-10,14H2,1H3