sodium 4-[5-(2-oxidanylidenepyrrolidin-1-yl)hexan-3-yl]benzenesulfinate

Systemtic Name: sodium 4-[5-(2-oxidanylidenepyrrolidin-1-yl)hexan-3-yl]benzenesulfinate Openeye Name: sodium 4-[1-ethyl-3-(2-oxopyrrolidin-1-yl)butyl]benzenesulfinate CAS Name: sodium 4-[5-(2-oxo-1-pyrrolidinyl)hexan-3-yl]benzenesulfinate IUPAC Name: sodium 4-[5-(2-oxopyrrolidin-1-yl)hexan-3-yl]benzenesulfinate Traditional Name: sodium 4-[1-ethyl-3-(2-ketopyrrolidino)butyl]benzenesulfinate Formula: C16H22NNaO3S MolecularWeight: 331.40555

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)N1CCCC1=O)C2=CC=C(C=C2)S(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC(C)N1CCCC1=O)C2=CC=C(C=C2)S(=O)[O-].[Na+]

InChI

InChI=1S/C16H23NO3S.Na/c1-3-13(11-12(2)17-10-4-5-16(17)18)14-6-8-15(9-7-14)21(19)20;/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,19,20);/q;+1/p-1