5-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 5-[4-(3-methoxyphenyl)sulfonyl-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-(3-methoxyphenyl)sulfonylpiperazino]coumarilic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC4=C(C=C3)OC(=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC4=C(C=C3)OC(=C4)C(=O)O

InChI

InChI=1S/C20H20N2O6S/c1-27-16-3-2-4-17(13-16)29(25,26)22-9-7-21(8-10-22)15-5-6-18-14(11-15)12-19(28-18)20(23)24/h2-6,11-13H,7-10H2,1H3,(H,23,24)