2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]benzenecarbonitrile

Systemtic Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]benzonitrile CAS Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]benzonitrile IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]benzonitrile Traditional Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenoxy]benzonitrile Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O5S/c1-14-9-15(2)13-22(12-14)29(26,27)17-7-8-20(18(10-17)23(24)25)28-19-6-4-3-5-16(19)11-21/h3-8,10,14-15H,9,12-13H2,1-2H3/t14-,15-/m1/s1