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

Systemtic Name: ethyl 5-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[(1-phenylpyrazol-4-yl)methyl]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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)CC3=CN(N=C3)C4=CC=CC=C4

InChI

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