4-azanyl-2-[[3-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 4-azanyl-2-[[3-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 4-amino-2-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid CAS Name: 4-amino-2-[[[3-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-amino-2-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid Traditional Name: 4-amino-2-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]besylic acid Formula: C16H17ClN2O6S2 MolecularWeight: 432.89898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)CCCl)C(=O)NC2=C(C=CC(=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)CCCl)C(=O)NC2=C(C=CC(=C2)N)S(=O)(=O)O

InChI

InChI=1S/C16H17ClN2O6S2/c17-6-7-26(21,22)10-11-2-1-3-12(8-11)16(20)19-14-9-13(18)4-5-15(14)27(23,24)25/h1-5,8-9H,6-7,10,18H2,(H,19,20)(H,23,24,25)