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

Systemtic Name: 4-[[8-oxidanyl-8-oxidanylidene-5-(3-pyridin-3-ylpropyl)octyl]sulfamoyl]benzoic acid Openeye Name: 4-[[8-hydroxy-8-oxo-5-[3-(3-pyridyl)propyl]octyl]sulfamoyl]benzoic acid CAS Name: 4-[[8-hydroxy-8-oxo-5-[3-(3-pyridinyl)propyl]octyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[8-hydroxy-8-oxo-5-(3-pyridin-3-ylpropyl)octyl]sulfamoyl]benzoic acid Traditional Name: 4-[[8-hydroxy-8-keto-5-[3-(3-pyridyl)propyl]octyl]sulfamoyl]benzoic acid Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C23H30N2O6S/c26-22(27)14-9-18(6-3-7-19-8-4-15-24-17-19)5-1-2-16-25-32(30,31)21-12-10-20(11-13-21)23(28)29/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)(H,28,29)