(3R,5R)-1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine

Systemtic Name: (3R,5R)-1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine Openeye Name: (3R,5R)-1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine CAS Name: (3R,5R)-1-[4-(2-methoxyphenoxy)-3-nitrophenyl]sulfonyl-3,5-dimethylpiperidine IUPAC Name: (3R,5R)-1-[4-(2-methoxyphenoxy)-3-nitrophenyl]sulfonyl-3,5-dimethylpiperidine Traditional Name: (3R,5R)-1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3OC)[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=C3OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N2O6S/c1-14-10-15(2)13-21(12-14)29(25,26)16-8-9-18(17(11-16)22(23)24)28-20-7-5-4-6-19(20)27-3/h4-9,11,14-15H,10,12-13H2,1-3H3/t14-,15-/m1/s1