1-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]propan-1-one

Systemtic Name: 1-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]propan-1-one Openeye Name: 1-[4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]-1-propanone IUPAC Name: 1-[4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]propan-1-one Traditional Name: 1-[4-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]propan-1-one Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-2-19(23)15-6-8-16(9-7-15)28-20-11-10-17(14-18(20)22(24)25)29(26,27)21-12-4-3-5-13-21/h6-11,14H,2-5,12-13H2,1H3