2-[2-(methylsulfonylamino)ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(methylsulfonylamino)ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[2-(methanesulfonamido)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[2-(methanesulfonamido)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[2-(methanesulfonamido)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[2-(methanesulfonamido)ethylamino]-5-nitro-benzoic acid Formula: C10H13N3O6S MolecularWeight: 303.29172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H13N3O6S/c1-20(18,19)12-5-4-11-9-3-2-7(13(16)17)6-8(9)10(14)15/h2-3,6,11-12H,4-5H2,1H3,(H,14,15)