ethyl 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate CAS Name: 5-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Traditional Name: 5-[4-(4-methoxyphenyl)piperazino]sulfonyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-3-26-17(22)15-12-16(19-18-15)27(23,24)21-10-8-20(9-11-21)13-4-6-14(25-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)