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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3C=C(C(=N3)N)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3C=C(C(=N3)N)C4=CC=C(C=C4)C)C

InChI

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