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

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Openeye Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid IUPAC Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Traditional Name: 4-[[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=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O6S2/c19-15-4-8-17(9-5-15)29(26,27)21-11-1-10-20(12-13-21)28(24,25)16-6-2-14(3-7-16)18(22)23/h2-9H,1,10-13H2,(H,22,23)