ethyl 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylethanoate Openeye Name: ethyl 2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanylacetate Traditional Name: 2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]acetic acid ethyl ester Formula: C15H20N2O6S2 MolecularWeight: 388.4591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S2/c1-2-23-15(18)11-24-14-7-6-12(10-13(14)17(19)20)25(21,22)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3