3-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(1-azocanylsulfonyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]propionic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=CN(N=C2)CCC(=O)O

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=CN(N=C2)CCC(=O)O

InChI

InChI=1S/C13H21N3O4S/c17-13(18)6-9-15-11-12(10-14-15)21(19,20)16-7-4-2-1-3-5-8-16/h10-11H,1-9H2,(H,17,18)