4-bromanyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-[4-(4-methoxyphenyl)sulfonylpiperazino]coumarilic acid Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

InChI

InChI=1S/C20H19BrN2O6S/c1-28-13-2-4-14(5-3-13)30(26,27)23-10-8-22(9-11-23)16-6-7-17-15(19(16)21)12-18(29-17)20(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)