1-oxidanyl-4-[(4-sulfanylpyrrolidin-2-yl)methylsulfamoyl]naphthalene-2-carboxylic acid

Systemtic Name: 1-oxidanyl-4-[(4-sulfanylpyrrolidin-2-yl)methylsulfamoyl]naphthalene-2-carboxylic acid Openeye Name: 1-hydroxy-4-[(4-sulfanylpyrrolidin-2-yl)methylsulfamoyl]naphthalene-2-carboxylic acid CAS Name: 1-hydroxy-4-[(4-mercapto-2-pyrrolidinyl)methylsulfamoyl]-2-naphthalenecarboxylic acid IUPAC Name: 1-hydroxy-4-[(4-sulfanylpyrrolidin-2-yl)methylsulfamoyl]naphthalene-2-carboxylic acid Traditional Name: 1-hydroxy-4-[(4-mercaptopyrrolidin-2-yl)methylsulfamoyl]-2-naphthoic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1CNS(=O)(=O)C2=CC(=C(C3=CC=CC=C32)O)C(=O)O)S

Isomeric SMILES

C1C(CNC1CNS(=O)(=O)C2=CC(=C(C3=CC=CC=C32)O)C(=O)O)S

InChI

InChI=1S/C16H18N2O5S2/c19-15-12-4-2-1-3-11(12)14(6-13(15)16(20)21)25(22,23)18-7-9-5-10(24)8-17-9/h1-4,6,9-10,17-19,24H,5,7-8H2,(H,20,21)