1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidin-4-ol

Systemtic Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidin-4-ol Openeye Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperidin-4-ol CAS Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-piperidinol IUPAC Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidin-4-ol Traditional Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]piperidin-4-ol Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-])C

InChI

InChI=1S/C18H27N3O5S/c1-13-9-14(2)12-20(11-13)27(25,26)16-3-4-17(18(10-16)21(23)24)19-7-5-15(22)6-8-19/h3-4,10,13-15,22H,5-9,11-12H2,1-2H3/t13-,14-/m1/s1