(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonyl-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: (2S)-1-[3,5-bis(chloranyl)phenyl]sulfonyl-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: (2S)-4-benzyloxycarbonyl-1-(3,5-dichlorophenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: (2S)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: (2S)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: (2S)-4-carbobenzoxy-1-(3,5-dichlorophenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C19H18Cl2N2O6S MolecularWeight: 473.32702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN([C@@H](CN1C(=O)OCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O6S/c20-14-8-15(21)10-16(9-14)30(27,28)23-7-6-22(11-17(23)18(24)25)19(26)29-12-13-4-2-1-3-5-13/h1-5,8-10,17H,6-7,11-12H2,(H,24,25)/t17-/m0/s1