sodium 4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]naphthalene-1-sulfonate

Systemtic Name: sodium 4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]naphthalene-1-sulfonate Openeye Name: sodium 4-[(2-benzyl-3-sulfanyl-propanoyl)amino]naphthalene-1-sulfonate CAS Name: sodium 4-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-1-naphthalenesulfonate IUPAC Name: sodium 4-[(2-benzyl-3-sulfanylpropanoyl)amino]naphthalene-1-sulfonate Traditional Name: sodium 4-[(2-benzyl-3-mercapto-propanoyl)amino]naphthalene-1-sulfonate Formula: C20H18NNaO4S2 MolecularWeight: 423.48099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-].[Na+]

InChI

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