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

Systemtic Name: ethyl 5-[5-azanyl-3-(4-methylphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[5-amino-3-(p-tolyl)pyrazol-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[5-amino-3-(4-methylphenyl)-1-pyrazolyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[5-amino-3-(4-methylphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[5-amino-3-(p-tolyl)pyrazol-1-yl]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

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)C)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)C)N)C

InChI

InChI=1S/C22H21N3O5S/c1-4-29-22(26)21-14(3)17-11-16(9-10-19(17)30-21)31(27,28)25-20(23)12-18(24-25)15-7-5-13(2)6-8-15/h5-12H,4,23H2,1-3H3