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

Systemtic Name: 4-chloranyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Openeye Name: 4-chloro-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Traditional Name: 4-chloro-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid Formula: C18H18ClFN2O6S2 MolecularWeight: 476.926723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClFN2O6S2/c19-16-7-2-13(18(23)24)12-17(16)30(27,28)22-9-1-8-21(10-11-22)29(25,26)15-5-3-14(20)4-6-15/h2-7,12H,1,8-11H2,(H,23,24)