ethyl 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate CAS Name: 5-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Traditional Name: 5-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-4-26-18(23)15-12-17(20-19-15)27(24,25)22-9-7-21(8-10-22)16-11-13(2)5-6-14(16)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,20)