2-fluoranyl-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Openeye Name: 2-fluoro-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid CAS Name: 2-fluoro-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid IUPAC Name: 2-fluoro-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Traditional Name: 2-fluoro-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Formula: C18H18F2N2O6S2 MolecularWeight: 460.472126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)21-8-1-9-22(11-10-21)30(27,28)15-6-7-17(20)16(12-15)18(23)24/h2-7,12H,1,8-11H2,(H,23,24)