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

Systemtic Name: (3S)-1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidin-3-ol Openeye Name: (3S)-1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperidin-3-ol CAS Name: (3S)-1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-3-piperidinol IUPAC Name: (3S)-1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidin-3-ol Traditional Name: (3S)-1-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]piperidin-3-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)N3CCCC(C3)O)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)O)[N+](=O)[O-])C

InChI

InChI=1S/C18H27N3O5S/c1-13-8-14(2)11-20(10-13)27(25,26)16-5-6-17(18(9-16)21(23)24)19-7-3-4-15(22)12-19/h5-6,9,13-15,22H,3-4,7-8,10-12H2,1-2H3/t13-,14-,15+/m1/s1