4-[(4-isoquinolin-5-yloxyphenyl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(4-isoquinolin-5-yloxyphenyl)sulfamoyl]benzoic acid Openeye Name: 4-[[4-(5-isoquinolyloxy)phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[4-(5-isoquinolinyloxy)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(4-isoquinolin-5-yloxyphenyl)sulfamoyl]benzoic acid Traditional Name: 4-[[4-(5-isoquinolyloxy)phenyl]sulfamoyl]benzoic acid Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)OC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)OC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N2O5S/c25-22(26)15-4-10-19(11-5-15)30(27,28)24-17-6-8-18(9-7-17)29-21-3-1-2-16-14-23-13-12-20(16)21/h1-14,24H,(H,25,26)