sodium 4-[[2-(naphthalen-1-ylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonate

Systemtic Name: sodium 4-[[2-(naphthalen-1-ylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonate Openeye Name: sodium 4-[[2-(1-naphthylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonate CAS Name: sodium 4-[[2-(mercaptomethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]benzenesulfonate IUPAC Name: sodium 4-[[2-(naphthalen-1-ylmethyl)-3-sulfanylpropanoyl]amino]benzenesulfonate Traditional Name: sodium 4-[[2-(mercaptomethyl)-3-(1-naphthyl)propanoyl]amino]besylate Formula: C20H18NNaO4S2 MolecularWeight: 423.48099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(CS)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(CS)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H19NO4S2.Na/c22-20(21-17-8-10-18(11-9-17)27(23,24)25)16(13-26)12-15-6-3-5-14-4-1-2-7-19(14)15;/h1-11,16,26H,12-13H2,(H,21,22)(H,23,24,25);/q;+1/p-1