ethyl 2-methyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]pyrazole-3-carboxylate CAS Name: 2-methyl-5-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrazole-3-carboxylate Traditional Name: 2-methyl-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]pyrazole-3-carboxylic acid ethyl ester Formula: C16H20N4O5S2 MolecularWeight: 412.4838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H20N4O5S2/c1-3-25-16(22)13-11-12(17-18(13)2)15(21)19-6-8-20(9-7-19)27(23,24)14-5-4-10-26-14/h4-5,10-11H,3,6-9H2,1-2H3