8-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline

Systemtic Name: 8-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline Openeye Name: 8-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline CAS Name: 8-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]-5-nitroquinoline IUPAC Name: 8-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]-5-nitroquinoline Traditional Name: 8-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline Formula: C20H19N5O7S MolecularWeight: 473.45916

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O7S/c1-22-9-11-23(12-10-22)33(30,31)14-4-6-18(17(13-14)25(28)29)32-19-7-5-16(24(26)27)15-3-2-8-21-20(15)19/h2-8,13H,9-12H2,1H3