ethyl 5-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrazole-3-carboxylate CAS Name: 5-[(4-phenyl-1-piperazinyl)sulfonyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrazole-3-carboxylate Traditional Name: 5-(4-phenylpiperazino)sulfonyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O4S/c1-2-24-16(21)14-12-15(18-17-14)25(22,23)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,17,18)