3-[1-oxidanyl-4-(thiophen-2-ylsulfonylamino)naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: 3-[1-oxidanyl-4-(thiophen-2-ylsulfonylamino)naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[1-hydroxy-4-(2-thienylsulfonylamino)-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[1-hydroxy-4-(thiophen-2-ylsulfonylamino)-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[1-hydroxy-4-(thiophen-2-ylsulfonylamino)naphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[1-hydroxy-4-(2-thienylsulfonylamino)-2-naphthyl]thio]propionate Formula: C17H14NO5S3- MolecularWeight: 408.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)[O-])NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)[O-])NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H15NO5S3/c19-15(20)7-9-24-14-10-13(11-4-1-2-5-12(11)17(14)21)18-26(22,23)16-6-3-8-25-16/h1-6,8,10,18,21H,7,9H2,(H,19,20)/p-1