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

Systemtic Name: sodium 2-[[2-(naphthalen-1-ylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonate Openeye Name: sodium 2-[[2-(1-naphthylmethyl)-3-sulfanyl-propanoyl]amino]ethanesulfonate CAS Name: sodium 2-[[2-(mercaptomethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[2-(naphthalen-1-ylmethyl)-3-sulfanylpropanoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[2-(mercaptomethyl)-3-(1-naphthyl)propanoyl]amino]ethanesulfonate Formula: C16H18NNaO4S2 MolecularWeight: 375.43819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S2.Na/c18-16(17-8-9-23(19,20)21)14(11-22)10-13-6-3-5-12-4-1-2-7-15(12)13;/h1-7,14,22H,8-11H2,(H,17,18)(H,19,20,21);/q;+1/p-1