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4-[(8-methoxy-8-oxidanylidene-2-pyridin-3-yl-octyl)sulfamoyl]benzoic acid

4-[(8-methoxy-8-oxidanylidene-2-pyridin-3-yl-octyl)sulfamoyl]benzoic acid

Systemtic Name:4-[(8-methoxy-8-oxidanylidene-2-pyridin-3-yl-octyl)sulfamoyl]benzoic acid
Openeye Name:4-[[8-methoxy-8-oxo-2-(3-pyridyl)octyl]sulfamoyl]benzoic acid
CAS Name:4-[[8-methoxy-8-oxo-2-(3-pyridinyl)octyl]sulfamoyl]benzoic acid
IUPAC Name:4-[(8-methoxy-8-oxo-2-pyridin-3-yloctyl)sulfamoyl]benzoic acid
Traditional Name:4-[[8-keto-8-methoxy-2-(3-pyridyl)octyl]sulfamoyl]benzoic acid
Formula: C21H26N2O6S
MolecularWeight: 434.50594
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=C(C=C1)C(=O)O)C2=CN=CC=C2


Isomeric SMILES

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=C(C=C1)C(=O)O)C2=CN=CC=C2


InChI

InChI=1S/C21H26N2O6S/c1-29-20(24)8-4-2-3-6-18(17-7-5-13-22-14-17)15-23-30(27,28)19-11-9-16(10-12-19)21(25)26/h5,7,9-14,18,23H,2-4,6,8,15H2,1H3,(H,25,26)


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