3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Openeye Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Traditional Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Formula: C18H19FN2O6S2 MolecularWeight: 442.481663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O6S2/c19-15-5-7-16(8-6-15)28(24,25)20-9-2-10-21(12-11-20)29(26,27)17-4-1-3-14(13-17)18(22)23/h1,3-8,13H,2,9-12H2,(H,22,23)