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

Systemtic Name: 8-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline Openeye Name: 8-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]-5-nitro-quinoline CAS Name: 8-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]-5-nitroquinoline IUPAC Name: 8-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]-5-nitroquinoline Traditional Name: 8-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(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

CC1CCN(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/C21H20N4O7S/c1-14-8-11-23(12-9-14)33(30,31)15-4-6-19(18(13-15)25(28)29)32-20-7-5-17(24(26)27)16-3-2-10-22-21(16)20/h2-7,10,13-14H,8-9,11-12H2,1H3