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

Systemtic Name: 2-[[4-azanyl-3-(trifluoromethyl)phenyl]sulfonyl-propyl-amino]ethanesulfonic acid Openeye Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-propyl-amino]ethanesulfonic acid CAS Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]ethanesulfonic acid IUPAC Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]ethanesulfonic acid Traditional Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-propyl-amino]ethanesulfonic acid Formula: C12H17F3N2O5S2 MolecularWeight: 390.39899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17F3N2O5S2/c1-2-5-17(6-7-23(18,19)20)24(21,22)9-3-4-11(16)10(8-9)12(13,14)15/h3-4,8H,2,5-7,16H2,1H3,(H,18,19,20)