1-[4-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]piperazino]ethanone Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c1-18(28)24-13-15-25(16-14-24)19-5-7-20(8-6-19)33-23-10-9-21(17-22(23)27(29)30)34(31,32)26-11-3-2-4-12-26/h5-10,17H,2-4,11-16H2,1H3