methyl 3-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanylpropanoate CAS Name: 3-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanylpropanoate Traditional Name: 3-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]propionic acid methyl ester Formula: C15H20N2O6S2 MolecularWeight: 388.4591

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S2/c1-23-15(18)7-10-24-14-6-5-12(11-13(14)17(19)20)25(21,22)16-8-3-2-4-9-16/h5-6,11H,2-4,7-10H2,1H3