sodium 2-[[3,5-bis(oxidanylidene)-2-phenyl-pyrazolidin-1-yl]methyl]benzenesulfonate

Systemtic Name: sodium 2-[[3,5-bis(oxidanylidene)-2-phenyl-pyrazolidin-1-yl]methyl]benzenesulfonate Openeye Name: sodium 2-[(3,5-dioxo-2-phenyl-pyrazolidin-1-yl)methyl]benzenesulfonate CAS Name: sodium 2-[(3,5-dioxo-2-phenyl-1-pyrazolidinyl)methyl]benzenesulfonate IUPAC Name: sodium 2-[(3,5-dioxo-2-phenylpyrazolidin-1-yl)methyl]benzenesulfonate Traditional Name: sodium 2-[(3,5-diketo-2-phenyl-pyrazolidin-1-yl)methyl]besylate Formula: C16H13N2NaO5S MolecularWeight: 368.33959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(N(C1=O)C2=CC=CC=C2)CC3=CC=CC=C3S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(=O)N(N(C1=O)C2=CC=CC=C2)CC3=CC=CC=C3S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H14N2O5S.Na/c19-15-10-16(20)18(13-7-2-1-3-8-13)17(15)11-12-6-4-5-9-14(12)24(21,22)23;/h1-9H,10-11H2,(H,21,22,23);/q;+1/p-1