ethyl 5-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[[4-(1-pyrazolyl)phenyl]methyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(4-pyrazol-1-ylbenzyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H24N4O5S/c1-2-29-21(26)19-8-9-20(30-19)31(27,28)24-14-12-23(13-15-24)16-17-4-6-18(7-5-17)25-11-3-10-22-25/h3-11H,2,12-16H2,1H3