1-[2-nitro-4-[(3-nitro-4-piperidin-1-yl-phenyl)sulfonylmethylsulfonyl]phenyl]piperidine

Systemtic Name: 1-[2-nitro-4-[(3-nitro-4-piperidin-1-yl-phenyl)sulfonylmethylsulfonyl]phenyl]piperidine Openeye Name: 1-[2-nitro-4-[[3-nitro-4-(1-piperidyl)phenyl]sulfonylmethylsulfonyl]phenyl]piperidine CAS Name: 1-[2-nitro-4-[[3-nitro-4-(1-piperidinyl)phenyl]sulfonylmethylsulfonyl]phenyl]piperidine IUPAC Name: 1-[2-nitro-4-[(3-nitro-4-piperidin-1-ylphenyl)sulfonylmethylsulfonyl]phenyl]piperidine Traditional Name: 1-[2-nitro-4-[(3-nitro-4-piperidino-phenyl)sulfonylmethylsulfonyl]phenyl]piperidine Formula: C23H28N4O8S2 MolecularWeight: 552.62042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)CS(=O)(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)CS(=O)(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O8S2/c28-26(29)22-15-18(7-9-20(22)24-11-3-1-4-12-24)36(32,33)17-37(34,35)19-8-10-21(23(16-19)27(30)31)25-13-5-2-6-14-25/h7-10,15-16H,1-6,11-14,17H2