5-[[2-(azepan-1-yl)-5-chloranyl-phenyl]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-(azepan-1-yl)-5-chloranyl-phenyl]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-(azepan-1-yl)-5-chloro-phenyl]sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[2-(1-azepanyl)-5-chlorophenyl]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(azepan-1-yl)-5-chlorophenyl]sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[2-(azepan-1-yl)-5-chloro-phenyl]sulfamoyl]-2-hydroxy-benzoic acid Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C19H21ClN2O5S/c20-13-5-7-17(22-9-3-1-2-4-10-22)16(11-13)21-28(26,27)14-6-8-18(23)15(12-14)19(24)25/h5-8,11-12,21,23H,1-4,9-10H2,(H,24,25)