1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[(2S,6R)-2,6-dimethyl-1-piperidinyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[(2S,6R)-2,6-dimethylpiperidino]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H27N3O6S/c1-14-6-5-7-15(2)21(14)19(23)13-28-18-9-8-16(12-17(18)22(24)25)29(26,27)20-10-3-4-11-20/h8-9,12,14-15H,3-7,10-11,13H2,1-2H3/t14-,15+