3-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]benzenesulfonic acid

Systemtic Name: 3-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]benzenesulfonic acid Openeye Name: 3-[(4-amino-2,5-dichloro-phenyl)sulfonyl-methyl-amino]benzenesulfonic acid CAS Name: 3-[(4-amino-2,5-dichlorophenyl)sulfonyl-methylamino]benzenesulfonic acid IUPAC Name: 3-[(4-amino-2,5-dichlorophenyl)sulfonyl-methylamino]benzenesulfonic acid Traditional Name: 3-[(4-amino-2,5-dichloro-phenyl)sulfonyl-methyl-amino]besylic acid Formula: C13H12Cl2N2O5S2 MolecularWeight: 411.28078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)S(=O)(=O)O)S(=O)(=O)C2=C(C=C(C(=C2)Cl)N)Cl

Isomeric SMILES

CN(C1=CC(=CC=C1)S(=O)(=O)O)S(=O)(=O)C2=C(C=C(C(=C2)Cl)N)Cl

InChI

InChI=1S/C13H12Cl2N2O5S2/c1-17(8-3-2-4-9(5-8)24(20,21)22)23(18,19)13-7-10(14)12(16)6-11(13)15/h2-7H,16H2,1H3,(H,20,21,22)