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

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4-methoxy-benzoic acid Openeye Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4-methoxy-benzoic acid CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4-methoxybenzoic acid Traditional Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-4-methoxy-benzoic acid Formula: C19H21FN2O7S2 MolecularWeight: 472.507643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O7S2/c1-29-17-8-3-14(19(23)24)13-18(17)31(27,28)22-10-2-9-21(11-12-22)30(25,26)16-6-4-15(20)5-7-16/h3-8,13H,2,9-12H2,1H3,(H,23,24)