ethyl 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H21N3O6S/c1-3-28-21(25)18-13-22-24(14(18)2)16-6-4-15(5-7-16)23-31(26,27)17-8-9-19-20(12-17)30-11-10-29-19/h4-9,12-13,23H,3,10-11H2,1-2H3