3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(4-chlorobenzyl)-nosyl-amino]propionic acid Formula: C16H15ClN2O6S MolecularWeight: 398.8181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O6S/c17-13-3-1-12(2-4-13)11-18(10-9-16(20)21)26(24,25)15-7-5-14(6-8-15)19(22)23/h1-8H,9-11H2,(H,20,21)