2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylethanol

Systemtic Name: 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylethanol Openeye Name: 2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanylethanol CAS Name: 2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]ethanol IUPAC Name: 2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanylethanol Traditional Name: 2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]ethanol Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5S2/c16-8-9-21-13-5-4-11(10-12(13)15(17)18)22(19,20)14-6-2-1-3-7-14/h4-5,10,16H,1-3,6-9H2