ethyl 5-[5-azanyl-3-(4-bromophenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[5-azanyl-3-(4-bromophenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[5-amino-3-(4-bromophenyl)-1-pyrazolyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C21H18BrN3O5S MolecularWeight: 504.35372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)Br)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)Br)N)C

InChI

InChI=1S/C21H18BrN3O5S/c1-3-29-21(26)20-12(2)16-10-15(8-9-18(16)30-20)31(27,28)25-19(23)11-17(24-25)13-4-6-14(22)7-5-13/h4-11H,3,23H2,1-2H3