1-methyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid Formula: C14H16N4O5S2 MolecularWeight: 384.43064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C14H16N4O5S2/c1-16-12(10(9-15-16)14(20)21)13(19)17-4-6-18(7-5-17)25(22,23)11-3-2-8-24-11/h2-3,8-9H,4-7H2,1H3,(H,20,21)