1-[4-(6-fluoranyl-1,2-benzothiazol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[4-(6-fluoranyl-1,2-benzothiazol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-[[4-(6-fluoro-1,2-benzothiazol-3-yl)-1-piperidyl]sulfonyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(6-fluoro-1,2-benzothiazol-3-yl)-1-piperidinyl]sulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidino]sulfonylpipecolinic acid Formula: C18H22FN3O4S2 MolecularWeight: 427.513383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)S(=O)(=O)N2CCC(CC2)C3=NSC4=C3C=CC(=C4)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)N2CCC(CC2)C3=NSC4=C3C=CC(=C4)F

InChI

InChI=1S/C18H22FN3O4S2/c19-13-4-5-14-16(11-13)27-20-17(14)12-6-9-21(10-7-12)28(25,26)22-8-2-1-3-15(22)18(23)24/h4-5,11-12,15H,1-3,6-10H2,(H,23,24)