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

Systemtic Name: 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-4-(dimethylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: 1-[[4-(4-chlorophenyl)-1-piperidyl]sulfonyl]-4-(dimethylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 1-[[4-(4-chlorophenyl)-1-piperidinyl]sulfonyl]-4-[dimethylamino(oxo)methyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-4-(dimethylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 1-[4-(4-chlorophenyl)piperidino]sulfonyl-4-(dimethylcarbamoyl)piperazine-2-carboxylic acid Formula: C19H27ClN4O5S MolecularWeight: 458.95948

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O5S/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)