aniline; [3-(sulfonylamino)phenyl]methanesulfonic acid

Systemtic Name: aniline; [3-(sulfonylamino)phenyl]methanesulfonic acid Openeye Name: aniline; [3-(sulfonylamino)phenyl]methanesulfonic acid CAS Name: aniline; [3-(sulfonylamino)phenyl]methanesulfonic acid IUPAC Name: aniline; [3-(sulfonylamino)phenyl]methanesulfonic acid Traditional Name: phenylamine; [3-(sulfonylamino)phenyl]methanesulfonic acid Formula: C13H14N2O5S2 MolecularWeight: 342.39066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N.C1=CC(=CC(=C1)N=S(=O)=O)CS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N.C1=CC(=CC(=C1)N=S(=O)=O)CS(=O)(=O)O

InChI

InChI=1S/C7H7NO5S2.C6H7N/c9-14(10)8-7-3-1-2-6(4-7)5-15(11,12)13;7-6-4-2-1-3-5-6/h1-4H,5H2,(H,11,12,13);1-5H,7H2