aniline; 3-methyl-4-(sulfonylamino)benzenesulfonic acid

Systemtic Name: aniline; 3-methyl-4-(sulfonylamino)benzenesulfonic acid Openeye Name: aniline; 3-methyl-4-(sulfonylamino)benzenesulfonic acid CAS Name: aniline; 3-methyl-4-(sulfonylamino)benzenesulfonic acid IUPAC Name: aniline; 3-methyl-4-(sulfonylamino)benzenesulfonic acid Traditional Name: 3-methyl-4-(sulfonylamino)besylic acid; phenylamine Formula: C13H14N2O5S2 MolecularWeight: 342.39066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S2.C6H7N/c1-5-4-6(15(11,12)13)2-3-7(5)8-14(9)10;7-6-4-2-1-3-5-6/h2-4H,1H3,(H,11,12,13);1-5H,7H2