1-[3-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]ethanone

Systemtic Name: 1-[3-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]ethanone Openeye Name: 1-[3-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]ethanone CAS Name: 1-[3-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]ethanone IUPAC Name: 1-[3-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]ethanone Traditional Name: 1-[3-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]ethanone Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-14(22)15-6-5-7-16(12-15)27-19-9-8-17(13-18(19)21(23)24)28(25,26)20-10-3-2-4-11-20/h5-9,12-13H,2-4,10-11H2,1H3