2-azanyl-5-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 2-amino-5-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid CAS Name: 2-amino-5-[[[4-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-5-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid Traditional Name: 2-amino-5-[[4-(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=C1CS(=O)(=O)CCCl)C(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

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