5-[4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonylpiperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonylpiperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-(3,5-dichloro-2-hydroxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-(3,5-dichloro-2-hydroxy-phenyl)sulfonylpiperazino]-4-methyl-coumarilic acid Formula: C20H18Cl2N2O6S MolecularWeight: 485.33772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=C(O2)C(=O)O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC(=C4O)Cl)Cl

Isomeric SMILES

CC1=C(C=CC2=C1C=C(O2)C(=O)O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC(=C4O)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O6S/c1-11-13-10-17(20(26)27)30-16(13)3-2-15(11)23-4-6-24(7-5-23)31(28,29)18-9-12(21)8-14(22)19(18)25/h2-3,8-10,25H,4-7H2,1H3,(H,26,27)