5-[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[4-(2,6-dichlorophenyl)sulfonyl-1-piperazinyl]-4-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-(2,6-dichlorophenyl)sulfonylpiperazino]-4-methyl-coumarilic acid Formula: C20H18Cl2N2O5S MolecularWeight: 469.33832

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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=C(C=CC=C4Cl)Cl

Isomeric SMILES

CC1=C(C=CC2=C1C=C(O2)C(=O)O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O5S/c1-12-13-11-18(20(25)26)29-17(13)6-5-16(12)23-7-9-24(10-8-23)30(27,28)19-14(21)3-2-4-15(19)22/h2-6,11H,7-10H2,1H3,(H,25,26)