3-(2-chloroethylcarbamoylamino)benzenesulfonic acid

Systemtic Name: 3-(2-chloroethylcarbamoylamino)benzenesulfonic acid Openeye Name: 3-(2-chloroethylcarbamoylamino)benzenesulfonic acid CAS Name: 3-[[(2-chloroethylamino)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 3-(2-chloroethylcarbamoylamino)benzenesulfonic acid Traditional Name: 3-(2-chloroethylcarbamoylamino)besylic acid Formula: C9H11ClN2O4S MolecularWeight: 278.71264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC(=O)NCCCl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC(=O)NCCCl

InChI

InChI=1S/C9H11ClN2O4S/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)