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

Systemtic Name: ethyl 5-[5-azanyl-3-(4-methoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[5-amino-3-(4-methoxyphenyl)-1-pyrazolyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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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)OC)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)OC)N)C

InChI

InChI=1S/C22H21N3O6S/c1-4-30-22(26)21-13(2)17-11-16(9-10-19(17)31-21)32(27,28)25-20(23)12-18(24-25)14-5-7-15(29-3)8-6-14/h5-12H,4,23H2,1-3H3