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

Systemtic Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-methyl-amino]-N-methyl-ethanamide Openeye Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-methyl-2-nitro-anilino]-N-methyl-acetamide CAS Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-methyl-2-nitroanilino]-N-methylacetamide IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-2-nitroanilino]-N-methylacetamide Traditional Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-N-methyl-2-nitro-anilino]-N-methyl-acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H26N4O5S/c1-12-7-13(2)10-20(9-12)27(25,26)14-5-6-15(16(8-14)21(23)24)19(4)11-17(22)18-3/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,18,22)/t12-,13-/m1/s1