4-[[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-(4,5-dihydrothiazol-2-ylsulfanyl)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid CAS Name: 4-[[3-(4,5-dihydrothiazol-2-ylthio)-4-hydroxy-1-naphthalenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-hydroxy-3-(2-thiazolin-2-ylthio)-1-naphthyl]sulfamoyl]benzoic acid Formula: C20H16N2O5S3 MolecularWeight: 460.54644

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SC2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

C1CSC(=N1)SC2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C20H16N2O5S3/c23-18-15-4-2-1-3-14(15)16(11-17(18)29-20-21-9-10-28-20)22-30(26,27)13-7-5-12(6-8-13)19(24)25/h1-8,11,22-23H,9-10H2,(H,24,25)