8-[4-[(5-fluoranyl-2-nitro-phenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline

Systemtic Name: 8-[4-[(5-fluoranyl-2-nitro-phenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline Openeye Name: 8-[4-[(5-fluoro-2-nitro-phenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-quinoline CAS Name: 8-[[4-[(5-fluoro-2-nitrophenyl)methyl]-1-piperazinyl]sulfonyl]-3-methylquinoline IUPAC Name: 8-[4-[(5-fluoro-2-nitrophenyl)methyl]piperazin-1-yl]sulfonyl-3-methylquinoline Traditional Name: 8-[4-(5-fluoro-2-nitro-benzyl)piperazino]sulfonyl-3-methyl-quinoline Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C(C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=C(C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O4S/c1-15-11-16-3-2-4-20(21(16)23-13-15)31(29,30)25-9-7-24(8-10-25)14-17-12-18(22)5-6-19(17)26(27)28/h2-6,11-13H,7-10,14H2,1H3