sodium 4-[4-(2-oxidanylidenepyrrolidin-1-yl)hexan-2-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-(2-oxidanylidenepyrrolidin-1-yl)hexan-2-yl]benzenesulfonate Openeye Name: sodium 4-[1-methyl-3-(2-oxopyrrolidin-1-yl)pentyl]benzenesulfonate CAS Name: sodium 4-[4-(2-oxo-1-pyrrolidinyl)hexan-2-yl]benzenesulfonate IUPAC Name: sodium 4-[4-(2-oxopyrrolidin-1-yl)hexan-2-yl]benzenesulfonate Traditional Name: sodium 4-[3-(2-ketopyrrolidino)-1-methyl-pentyl]besylate Formula: C16H22NNaO4S MolecularWeight: 347.40495

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-])N2CCCC2=O.[Na+]

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-])N2CCCC2=O.[Na+]

InChI

InChI=1S/C16H23NO4S.Na/c1-3-14(17-10-4-5-16(17)18)11-12(2)13-6-8-15(9-7-13)22(19,20)21;/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,19,20,21);/q;+1/p-1