4-(dimethylcarbamoyl)-1-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]sulfonyl]piperazine-2-carboxylic acid

Systemtic Name: 4-(dimethylcarbamoyl)-1-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]sulfonyl]piperazine-2-carboxylic acid Openeye Name: 4-(dimethylcarbamoyl)-1-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]sulfonyl]piperazine-2-carboxylic acid CAS Name: 4-[dimethylamino(oxo)methyl]-1-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]sulfonyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(dimethylcarbamoyl)-1-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]sulfonyl]piperazine-2-carboxylic acid Traditional Name: 4-(dimethylcarbamoyl)-1-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]sulfonyl]piperazine-2-carboxylic acid Formula: C19H25FN4O5S MolecularWeight: 440.489003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2CC(=CCN2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2CC(=CCN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H25FN4O5S/c1-22(2)19(27)23-9-10-24(16(12-23)18(25)26)30(28,29)17-11-14(7-8-21-17)13-3-5-15(20)6-4-13/h3-7,16-17,21H,8-12H2,1-2H3,(H,25,26)