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

Systemtic Name: ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate CAS Name: 5-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Traditional Name: 5-[4-(3-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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