3-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonylamino]benzenesulfonic acid; methane

Systemtic Name: 3-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonylamino]benzenesulfonic acid; methane Openeye Name: 3-[(4-amino-2,5-dichloro-phenyl)sulfonylamino]benzenesulfonic acid; methane CAS Name: 3-[(4-amino-2,5-dichlorophenyl)sulfonylamino]benzenesulfonic acid; methane IUPAC Name: 3-[(4-amino-2,5-dichlorophenyl)sulfonylamino]benzenesulfonic acid; methane Traditional Name: 3-[(4-amino-2,5-dichloro-phenyl)sulfonylamino]besylic acid; methane Formula: C13H14Cl2N2O5S2 MolecularWeight: 413.29666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC(=CC(=C1)S(=O)(=O)O)NS(=O)(=O)C2=C(C=C(C(=C2)Cl)N)Cl

Isomeric SMILES

C.C1=CC(=CC(=C1)S(=O)(=O)O)NS(=O)(=O)C2=C(C=C(C(=C2)Cl)N)Cl

InChI

InChI=1S/C12H10Cl2N2O5S2.CH4/c13-9-6-12(10(14)5-11(9)15)22(17,18)16-7-2-1-3-8(4-7)23(19,20)21;/h1-6,16H,15H2,(H,19,20,21);1H4