5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[[4-[3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]-1-piperazinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazino]sulfonyl-3-methyl-coumarilic acid Formula: C27H26N6O5S MolecularWeight: 546.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC6=C(C=C5)OC(=C6C)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC6=C(C=C5)OC(=C6C)C(=O)O)C

InChI

InChI=1S/C27H26N6O5S/c1-16-14-17(2)33(30-16)26-25(28-21-6-4-5-7-22(21)29-26)31-10-12-32(13-11-31)39(36,37)19-8-9-23-20(15-19)18(3)24(38-23)27(34)35/h4-9,14-15H,10-13H2,1-3H3,(H,34,35)