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

Systemtic Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-anilino]-N-isopropyl-acetamide CAS Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitroanilino]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitroanilino]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-anilino]-N-isopropyl-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)NCC(=O)NC(C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-12(2)20-18(23)9-19-16-6-5-15(8-17(16)22(24)25)28(26,27)21-10-13(3)7-14(4)11-21/h5-6,8,12-14,19H,7,9-11H2,1-4H3,(H,20,23)/t13-,14-/m1/s1