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

Systemtic Name: 4-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]benzenesulfonic acid; methane Openeye Name: 4-[(4-amino-2,5-dichloro-phenyl)sulfonyl-methyl-amino]benzenesulfonic acid; methane CAS Name: 4-[(4-amino-2,5-dichlorophenyl)sulfonyl-methylamino]benzenesulfonic acid; methane IUPAC Name: 4-[(4-amino-2,5-dichlorophenyl)sulfonyl-methylamino]benzenesulfonic acid; methane Traditional Name: 4-[(4-amino-2,5-dichloro-phenyl)sulfonyl-methyl-amino]besylic acid; methane Formula: C14H16Cl2N2O5S2 MolecularWeight: 427.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Cl2N2O5S2.CH4/c1-17(8-2-4-9(5-3-8)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);1H4