2-[[5-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-methoxy-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]-2-methoxy-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-2-methoxy-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[5-[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]-2-methoxyphenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[5-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-2-methoxyphenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[5-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-2-methoxy-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C19H22BrF3N3O4S+ MolecularWeight: 525.35989

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)OC

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)OC

InChI

InChI=1S/C19H21BrF3N3O4S/c1-26(2)9-8-24-31(28,29)17-10-12(4-7-16(17)30-3)18(27)25-13-5-6-15(20)14(11-13)19(21,22)23/h4-7,10-11,24H,8-9H2,1-3H3,(H,25,27)/p+1