3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethyl-benzoic acid Formula: C20H23FN2O6S2 MolecularWeight: 470.534823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H23FN2O6S2/c1-14-12-16(20(24)25)13-19(15(14)2)31(28,29)23-9-3-8-22(10-11-23)30(26,27)18-6-4-17(21)5-7-18/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,25)