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

Systemtic Name: 3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]benzaldehyde Openeye Name: 3-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]benzaldehyde CAS Name: 3-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]benzaldehyde IUPAC Name: 3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]benzaldehyde Traditional Name: 3-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenoxy]benzaldehyde Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C=O)[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(=C3)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O6S/c1-14-8-15(2)12-21(11-14)29(26,27)18-6-7-20(19(10-18)22(24)25)28-17-5-3-4-16(9-17)13-23/h3-7,9-10,13-15H,8,11-12H2,1-2H3/t14-,15-/m1/s1