aniline; [4-(sulfonylamino)phenyl]methanesulfonic acid

Systemtic Name: aniline; [4-(sulfonylamino)phenyl]methanesulfonic acid Openeye Name: aniline; [4-(sulfonylamino)phenyl]methanesulfonic acid CAS Name: aniline; [4-(sulfonylamino)phenyl]methanesulfonic acid IUPAC Name: aniline; [4-(sulfonylamino)phenyl]methanesulfonic acid Traditional Name: phenylamine; [4-(sulfonylamino)phenyl]methanesulfonic acid Formula: C13H14N2O5S2 MolecularWeight: 342.39066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N.C1=CC(=CC=C1CS(=O)(=O)O)N=S(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)N.C1=CC(=CC=C1CS(=O)(=O)O)N=S(=O)=O

InChI

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