potassium 3-(2-chloroethylcarbamoylamino)benzenesulfonate

Systemtic Name: potassium 3-(2-chloroethylcarbamoylamino)benzenesulfonate Openeye Name: potassium 3-(2-chloroethylcarbamoylamino)benzenesulfonate CAS Name: potassium 3-[[(2-chloroethylamino)-oxomethyl]amino]benzenesulfonate IUPAC Name: potassium 3-(2-chloroethylcarbamoylamino)benzenesulfonate Traditional Name: potassium 3-(2-chloroethylcarbamoylamino)besylate Formula: C9H10ClKN2O4S MolecularWeight: 316.803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC(=O)NCCCl.[K+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC(=O)NCCCl.[K+]

InChI

InChI=1S/C9H11ClN2O4S.K/c10-4-5-11-9(13)12-7-2-1-3-8(6-7)17(14,15)16;/h1-3,6H,4-5H2,(H2,11,12,13)(H,14,15,16);/q;+1/p-1