3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoic acid

Systemtic Name: 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoic acid Openeye Name: 3-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoic acid Traditional Name: 3-[4-(3-pyridylsulfonyl)piperazino]propionic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H17N3O4S/c16-12(17)3-5-14-6-8-15(9-7-14)20(18,19)11-2-1-4-13-10-11/h1-2,4,10H,3,5-9H2,(H,16,17)