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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=C(C=CC(=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)19-14-9-13(18)5-6-15(14)27(23,24)25/h1-6,9H,7-8,10,18H2,(H,19,20)(H,23,24,25)