1-[2-nitro-4-[3-nitro-4-(4-oxidanylpiperidin-1-yl)phenyl]sulfonyl-phenyl]piperidin-4-ol

Systemtic Name: 1-[2-nitro-4-[3-nitro-4-(4-oxidanylpiperidin-1-yl)phenyl]sulfonyl-phenyl]piperidin-4-ol Openeye Name: 1-[4-[4-(4-hydroxy-1-piperidyl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]piperidin-4-ol CAS Name: 1-[4-[4-(4-hydroxy-1-piperidinyl)-3-nitrophenyl]sulfonyl-2-nitrophenyl]-4-piperidinol IUPAC Name: 1-[4-[4-(4-hydroxypiperidin-1-yl)-3-nitrophenyl]sulfonyl-2-nitrophenyl]piperidin-4-ol Traditional Name: 1-[4-[4-(4-hydroxypiperidino)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]piperidin-4-ol Formula: C22H26N4O8S MolecularWeight: 506.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCC(CC4)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1O)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCC(CC4)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O8S/c27-15-5-9-23(10-6-15)19-3-1-17(13-21(19)25(29)30)35(33,34)18-2-4-20(22(14-18)26(31)32)24-11-7-16(28)8-12-24/h1-4,13-16,27-28H,5-12H2