2-[[4-azanyl-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[[4-azanyl-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid Openeye Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid CAS Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]ethanesulfonic acid IUPAC Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]ethanesulfonic acid Traditional Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid Formula: C10H13F3N2O5S2 MolecularWeight: 362.34583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC(=C(C=C1)N)C(F)(F)F

Isomeric SMILES

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC(=C(C=C1)N)C(F)(F)F

InChI

InChI=1S/C10H13F3N2O5S2/c1-15(4-5-21(16,17)18)22(19,20)7-2-3-9(14)8(6-7)10(11,12)13/h2-3,6H,4-5,14H2,1H3,(H,16,17,18)