4-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-(dimethylcarbamoyl)-1-[[4-(4-fluorophenyl)-1-piperidyl]sulfonyl]piperazine-2-carboxylic acid CAS Name: 4-[dimethylamino(oxo)methyl]-1-[[4-(4-fluorophenyl)-1-piperidinyl]sulfonyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)piperidino]sulfonyl-piperazine-2-carboxylic acid Formula: C19H27FN4O5S MolecularWeight: 442.504883

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H27FN4O5S/c1-21(2)19(27)22-11-12-24(17(13-22)18(25)26)30(28,29)23-9-7-15(8-10-23)14-3-5-16(20)6-4-14/h3-6,15,17H,7-13H2,1-2H3,(H,25,26)