4-(4-nitrophenyl)sulfonyl-1-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(4-nitrophenyl)sulfonyl-1-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-(4-nitrophenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-(4-nitrophenyl)sulfonyl-1-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 4-(4-nitrophenyl)sulfonyl-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4-nosyl-piperazine-2-carboxylic acid Formula: C19H19N3O8S MolecularWeight: 449.43446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O8S/c23-18(24)17-12-20(31(28,29)16-8-6-15(7-9-16)22(26)27)10-11-21(17)19(25)30-13-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,23,24)