3-[[5-oxidanyl-6-(propanoylamino)naphthalen-1-yl]sulfamoyl]benzenesulfonic acid

Systemtic Name: 3-[[5-oxidanyl-6-(propanoylamino)naphthalen-1-yl]sulfamoyl]benzenesulfonic acid Openeye Name: 3-[[5-hydroxy-6-(propanoylamino)-1-naphthyl]sulfamoyl]benzenesulfonic acid CAS Name: 3-[[5-hydroxy-6-(1-oxopropylamino)-1-naphthalenyl]sulfamoyl]benzenesulfonic acid IUPAC Name: 3-[[5-hydroxy-6-(propanoylamino)naphthalen-1-yl]sulfamoyl]benzenesulfonic acid Traditional Name: 3-[(5-hydroxy-6-propionamido-1-naphthyl)sulfamoyl]besylic acid Formula: C19H18N2O7S2 MolecularWeight: 450.48542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(C=C1)C(=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)O)O

Isomeric SMILES

CCC(=O)NC1=C(C2=C(C=C1)C(=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)O)O

InChI

InChI=1S/C19H18N2O7S2/c1-2-18(22)20-17-10-9-14-15(19(17)23)7-4-8-16(14)21-29(24,25)12-5-3-6-13(11-12)30(26,27)28/h3-11,21,23H,2H2,1H3,(H,20,22)(H,26,27,28)