2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-methyl-amino]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-methyl-amino]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-methyl-2-nitro-anilino]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-methyl-2-nitroanilino]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-2-nitroanilino]-N,N-dimethylacetamide Traditional Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-N-methyl-2-nitro-anilino]-N,N-dimethyl-acetamide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-13-8-14(2)11-21(10-13)28(26,27)15-6-7-16(17(9-15)22(24)25)20(5)12-18(23)19(3)4/h6-7,9,13-14H,8,10-12H2,1-5H3/t13-,14-/m1/s1