1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H27N3O7S/c1-14-9-15(2)12-20(11-14)19(23)13-29-18-4-3-16(10-17(18)22(24)25)30(26,27)21-5-7-28-8-6-21/h3-4,10,14-15H,5-9,11-13H2,1-2H3/t14-,15-/m1/s1