2-nitramido-3-phenyl-2-(phenylmethyl)sulfonyl-propanoic acid

Systemtic Name: 2-nitramido-3-phenyl-2-(phenylmethyl)sulfonyl-propanoic acid Openeye Name: 2-benzylsulfonyl-2-nitramido-3-phenyl-propanoic acid CAS Name: 2-nitramido-3-phenyl-2-(phenylmethyl)sulfonylpropanoic acid IUPAC Name: 2-benzylsulfonyl-2-nitramido-3-phenylpropanoic acid Traditional Name: 2-benzylsulfonyl-2-nitramido-3-phenyl-propionic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)(N[N+](=O)[O-])S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)(N[N+](=O)[O-])S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O6S/c19-15(20)16(17-18(21)22,11-13-7-3-1-4-8-13)25(23,24)12-14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,19,20)