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

Systemtic Name: 5-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]sulfamoyl]-2-fluoro-benzoic acid Formula: C20H23FN2O7S2 MolecularWeight: 486.534223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H23FN2O7S2/c1-30-19-9-7-15(32(28,29)23-10-4-2-3-5-11-23)13-18(19)22-31(26,27)14-6-8-17(21)16(12-14)20(24)25/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,24,25)