4-[[5-(3-imidazol-1-ylpropyl)-8-oxidanyl-8-oxidanylidene-octyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[5-(3-imidazol-1-ylpropyl)-8-oxidanyl-8-oxidanylidene-octyl]sulfamoyl]benzoic acid Openeye Name: 4-[[8-hydroxy-5-(3-imidazol-1-ylpropyl)-8-oxo-octyl]sulfamoyl]benzoic acid CAS Name: 4-[[8-hydroxy-5-[3-(1-imidazolyl)propyl]-8-oxooctyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[8-hydroxy-5-(3-imidazol-1-ylpropyl)-8-oxooctyl]sulfamoyl]benzoic acid Traditional Name: 4-[[8-hydroxy-5-(3-imidazol-1-ylpropyl)-8-keto-octyl]sulfamoyl]benzoic acid Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O

InChI

InChI=1S/C21H29N3O6S/c25-20(26)11-6-17(5-3-14-24-15-13-22-16-24)4-1-2-12-23-31(29,30)19-9-7-18(8-10-19)21(27)28/h7-10,13,15-17,23H,1-6,11-12,14H2,(H,25,26)(H,27,28)