5-(4-aminophenyl)sulfonyl-2-azanyl-benzenesulfonate; trimethylazanium

Systemtic Name: 5-(4-aminophenyl)sulfonyl-2-azanyl-benzenesulfonate; trimethylazanium Openeye Name: 2-amino-5-(4-aminophenyl)sulfonyl-benzenesulfonate; trimethylammonium CAS Name: 2-amino-5-(4-aminophenyl)sulfonylbenzenesulfonate; trimethylammonium IUPAC Name: 2-amino-5-(4-aminophenyl)sulfonylbenzenesulfonate; trimethylazanium Traditional Name: 2-amino-5-sulfanilyl-besylate; trimethylammonium Formula: C15H21N3O5S2 MolecularWeight: 387.47434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C.C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

C[NH+](C)C.C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C12H12N2O5S2.C3H9N/c13-8-1-3-9(4-2-8)20(15,16)10-5-6-11(14)12(7-10)21(17,18)19;1-4(2)3/h1-7H,13-14H2,(H,17,18,19);1-3H3