3-[[4-azanyl-3-(trifluoromethyl)phenyl]sulfonylamino]propane-1-sulfonic acid

Systemtic Name: 3-[[4-azanyl-3-(trifluoromethyl)phenyl]sulfonylamino]propane-1-sulfonic acid Openeye Name: 3-[[4-amino-3-(trifluoromethyl)phenyl]sulfonylamino]propane-1-sulfonic acid CAS Name: 3-[[4-amino-3-(trifluoromethyl)phenyl]sulfonylamino]-1-propanesulfonic acid IUPAC Name: 3-[[4-amino-3-(trifluoromethyl)phenyl]sulfonylamino]propane-1-sulfonic acid Traditional Name: 3-[[4-amino-3-(trifluoromethyl)phenyl]sulfonylamino]propane-1-sulfonic acid Formula: C10H13F3N2O5S2 MolecularWeight: 362.34583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCCS(=O)(=O)O)C(F)(F)F)N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCCS(=O)(=O)O)C(F)(F)F)N

InChI

InChI=1S/C10H13F3N2O5S2/c11-10(12,13)8-6-7(2-3-9(8)14)22(19,20)15-4-1-5-21(16,17)18/h2-3,6,15H,1,4-5,14H2,(H,16,17,18)