2-[3-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]propyl]pyrazole-3-carboxylic acid Formula: C15H20N6O5S MolecularWeight: 396.4215

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C15H20N6O5S/c1-18-11-12(10-17-18)27(25,26)20-8-6-19(7-9-20)14(22)3-5-21-13(15(23)24)2-4-16-21/h2,4,10-11H,3,5-9H2,1H3,(H,23,24)