ethyl 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C17H24N2O6S2 MolecularWeight: 416.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@H](C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O6S2/c1-4-25-17(20)11-26-16-6-5-14(8-15(16)19(21)22)27(23,24)18-9-12(2)7-13(3)10-18/h5-6,8,12-13H,4,7,9-11H2,1-3H3/t12-,13-/m1/s1