5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[3-(1-azepanylsulfonyl)-4-methylphenyl]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-2-fluoro-benzoic acid Formula: C20H23FN2O6S2 MolecularWeight: 470.534823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23FN2O6S2/c1-14-6-7-15(12-19(14)31(28,29)23-10-4-2-3-5-11-23)22-30(26,27)16-8-9-18(21)17(13-16)20(24)25/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,24,25)