1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[[5-(1H-pyrazol-5-yl)-2-thienyl]sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-(1H-pyrazol-5-yl)-2-thiophenyl]sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[[5-(1H-pyrazol-5-yl)-2-thienyl]sulfonyl]nipecotic acid Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)C3=CC=NN3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)C3=CC=NN3)C(=O)O

InChI

InChI=1S/C13H15N3O4S2/c17-13(18)9-2-1-7-16(8-9)22(19,20)12-4-3-11(21-12)10-5-6-14-15-10/h3-6,9H,1-2,7-8H2,(H,14,15)(H,17,18)