2-[[6-(2-azanylethylsulfamoyl)cyclohexa-1,5-dien-1-yl]amino]ethanesulfonic acid

Systemtic Name: 2-[[6-(2-azanylethylsulfamoyl)cyclohexa-1,5-dien-1-yl]amino]ethanesulfonic acid Openeye Name: 2-[[6-(2-aminoethylsulfamoyl)cyclohexa-1,5-dien-1-yl]amino]ethanesulfonic acid CAS Name: 2-[[6-(2-aminoethylsulfamoyl)-1-cyclohexa-1,5-dienyl]amino]ethanesulfonic acid IUPAC Name: 2-[[6-(2-aminoethylsulfamoyl)cyclohexa-1,5-dien-1-yl]amino]ethanesulfonic acid Traditional Name: 2-[[6-(2-aminoethylsulfamoyl)cyclohexa-1,5-dien-1-yl]amino]ethanesulfonic acid Formula: C10H19N3O5S2 MolecularWeight: 325.40496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=C1)NCCS(=O)(=O)O)S(=O)(=O)NCCN

Isomeric SMILES

C1CC=C(C(=C1)NCCS(=O)(=O)O)S(=O)(=O)NCCN

InChI

InChI=1S/C10H19N3O5S2/c11-5-6-13-20(17,18)10-4-2-1-3-9(10)12-7-8-19(14,15)16/h3-4,12-13H,1-2,5-8,11H2,(H,14,15,16)