1-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]phenyl]ethanone Openeye Name: 1-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]phenyl]ethanone CAS Name: 1-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]phenyl]ethanone Traditional Name: 1-[4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenoxy]phenyl]ethanone Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-14-4-3-11-21(13-14)29(26,27)18-9-10-20(19(12-18)22(24)25)28-17-7-5-16(6-8-17)15(2)23/h5-10,12,14H,3-4,11,13H2,1-2H3/t14-/m0/s1