4-[[3-(2-carboxyethylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[3-(2-carboxyethylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-(2-carboxyethylsulfanyl)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid CAS Name: 4-[[3-(2-carboxyethylthio)-4-hydroxy-1-naphthalenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-(2-carboxyethylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-(2-carboxyethylthio)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid Formula: C20H17NO7S2 MolecularWeight: 447.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17NO7S2/c22-18(23)9-10-29-17-11-16(14-3-1-2-4-15(14)19(17)24)21-30(27,28)13-7-5-12(6-8-13)20(25)26/h1-8,11,21,24H,9-10H2,(H,22,23)(H,25,26)