sodium 4-methyl-1,1-bis(oxidanylidene)-4-(3-piperidin-1-ylpropanoylamino)thiolane-3-sulfonate

Systemtic Name: sodium 4-methyl-1,1-bis(oxidanylidene)-4-(3-piperidin-1-ylpropanoylamino)thiolane-3-sulfonate Openeye Name: sodium 4-methyl-1,1-dioxo-4-[3-(1-piperidyl)propanoylamino]thiolane-3-sulfonate CAS Name: sodium 4-methyl-1,1-dioxo-4-[[1-oxo-3-(1-piperidinyl)propyl]amino]-3-thiolanesulfonate IUPAC Name: sodium 4-methyl-1,1-dioxo-4-(3-piperidin-1-ylpropanoylamino)thiolane-3-sulfonate Traditional Name: sodium 1,1-diketo-4-methyl-4-(3-piperidinopropanoylamino)thiolane-3-sulfonate Formula: C13H23N2NaO6S2 MolecularWeight: 390.45129

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CCN2CCCCC2.[Na+]

Isomeric SMILES

CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CCN2CCCCC2.[Na+]

InChI

InChI=1S/C13H24N2O6S2.Na/c1-13(10-22(17,18)9-11(13)23(19,20)21)14-12(16)5-8-15-6-3-2-4-7-15;/h11H,2-10H2,1H3,(H,14,16)(H,19,20,21);/q;+1/p-1