1-[4-(4-chloranylphenoxy)phenyl]sulfonyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid

Systemtic Name: 1-[4-(4-chloranylphenoxy)phenyl]sulfonyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 1-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(methylcarbamoyl)-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 1-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid Formula: C19H20ClN3O6S MolecularWeight: 453.8966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CNC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O6S/c1-21-19(26)22-10-11-23(17(12-22)18(24)25)30(27,28)16-8-6-15(7-9-16)29-14-4-2-13(20)3-5-14/h2-9,17H,10-12H2,1H3,(H,21,26)(H,24,25)