(4-methylsulfonylphenyl)-[(3R)-piperidin-1-ium-3-yl]sulfonyl-azanide

Systemtic Name: (4-methylsulfonylphenyl)-[(3R)-piperidin-1-ium-3-yl]sulfonyl-azanide Openeye Name: (4-methylsulfonylphenyl)-[(3R)-piperidin-1-ium-3-yl]sulfonyl-azanide CAS Name: (4-methylsulfonylphenyl)-[[(3R)-3-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-methylsulfonylphenyl)-[(3R)-piperidin-1-ium-3-yl]sulfonylazanide Traditional Name: (4-mesylphenyl)-[(3R)-piperidin-1-ium-3-yl]sulfonyl-azanide Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)[N-]S(=O)(=O)C2CCC[NH2+]C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[N-]S(=O)(=O)[C@@H]2CCC[NH2+]C2

InChI

InChI=1S/C12H17N2O4S2/c1-19(15,16)11-6-4-10(5-7-11)14-20(17,18)12-3-2-8-13-9-12/h4-7,12-13H,2-3,8-9H2,1H3/q-1/p+1/t12-/m1/s1