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

Systemtic Name: ethyl 5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[4-[3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]-1-piperazinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazino]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C29H30N6O5S MolecularWeight: 574.6507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5N=C4N6C(=CC(=N6)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5N=C4N6C(=CC(=N6)C)C)C

InChI

InChI=1S/C29H30N6O5S/c1-5-39-29(36)26-20(4)22-17-21(10-11-25(22)40-26)41(37,38)34-14-12-33(13-15-34)27-28(35-19(3)16-18(2)32-35)31-24-9-7-6-8-23(24)30-27/h6-11,16-17H,5,12-15H2,1-4H3