8-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline

Systemtic Name: 8-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline Openeye Name: 8-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]-5-nitro-quinoline CAS Name: 8-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]-5-nitroquinoline IUPAC Name: 8-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]-5-nitroquinoline Traditional Name: 8-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)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/c1-14-4-3-11-23(13-14)33(30,31)15-6-8-19(18(12-15)25(28)29)32-20-9-7-17(24(26)27)16-5-2-10-22-21(16)20/h2,5-10,12,14H,3-4,11,13H2,1H3/t14-/m0/s1