2-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]acetic acid CAS Name: 2-[4-(1-azocanylsulfonyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(azocan-1-ylsulfonyl)pyrazol-1-yl]acetic acid Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4S/c16-12(17)10-14-9-11(8-13-14)20(18,19)15-6-4-2-1-3-5-7-15/h8-9H,1-7,10H2,(H,16,17)