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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(azepan-1-ylsulfonyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(1-azepanylsulfonyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(azepan-1-ylsulfonyl)pyrazol-1-yl]propionic acid Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN(N=C2)CCC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN(N=C2)CCC(=O)O

InChI

InChI=1S/C12H19N3O4S/c16-12(17)5-8-14-10-11(9-13-14)20(18,19)15-6-3-1-2-4-7-15/h9-10H,1-8H2,(H,16,17)