2-methylaniline; 3-(sulfonylamino)benzenesulfonic acid

Systemtic Name: 2-methylaniline; 3-(sulfonylamino)benzenesulfonic acid Openeye Name: 2-methylaniline; 3-(sulfonylamino)benzenesulfonic acid CAS Name: 2-methylaniline; 3-(sulfonylamino)benzenesulfonic acid IUPAC Name: 2-methylaniline; 3-(sulfonylamino)benzenesulfonic acid Traditional Name: o-toluidine; 3-(sulfonylamino)besylic acid Formula: C13H14N2O5S2 MolecularWeight: 342.39066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N.C1=CC(=CC(=C1)S(=O)(=O)O)N=S(=O)=O

Isomeric SMILES

CC1=CC=CC=C1N.C1=CC(=CC(=C1)S(=O)(=O)O)N=S(=O)=O

InChI

InChI=1S/C7H9N.C6H5NO5S2/c1-6-4-2-3-5-7(6)8;8-13(9)7-5-2-1-3-6(4-5)14(10,11)12/h2-5H,8H2,1H3;1-4H,(H,10,11,12)