5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-fluoro-benzoic acid Formula: C19H21FN2O6S2 MolecularWeight: 456.508243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H21FN2O6S2/c20-18-10-9-16(13-17(18)19(23)24)29(25,26)21-14-5-7-15(8-6-14)30(27,28)22-11-3-1-2-4-12-22/h5-10,13,21H,1-4,11-12H2,(H,23,24)