2-chloranylaniline; [3-(sulfonylamino)phenyl]methanesulfonic acid

Systemtic Name: 2-chloranylaniline; [3-(sulfonylamino)phenyl]methanesulfonic acid Openeye Name: 2-chloroaniline; [3-(sulfonylamino)phenyl]methanesulfonic acid CAS Name: 2-chloroaniline; [3-(sulfonylamino)phenyl]methanesulfonic acid IUPAC Name: 2-chloroaniline; [3-(sulfonylamino)phenyl]methanesulfonic acid Traditional Name: (2-chlorophenyl)amine; [3-(sulfonylamino)phenyl]methanesulfonic acid Formula: C13H13ClN2O5S2 MolecularWeight: 376.83572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S2.C6H6ClN/c9-14(10)8-7-3-1-2-6(4-7)5-15(11,12)13;7-5-3-1-2-4-6(5)8/h1-4H,5H2,(H,11,12,13);1-4H,8H2