[2-chloranyl-4-[[4-(trifluoromethyloxy)phenyl]carbamoyl]phenyl]-dimethyl-sulfo-azanium

Systemtic Name: [2-chloranyl-4-[[4-(trifluoromethyloxy)phenyl]carbamoyl]phenyl]-dimethyl-sulfo-azanium Openeye Name: [2-chloro-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-dimethyl-sulfo-ammonium CAS Name: [2-chloro-4-[oxo-[4-(trifluoromethoxy)anilino]methyl]phenyl]-dimethyl-sulfoammonium IUPAC Name: [2-chloro-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-dimethyl-sulfoazanium Traditional Name: [2-chloro-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-dimethyl-sulfo-ammonium Formula: C16H15ClF3N2O5S+ MolecularWeight: 439.81391

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl)S(=O)(=O)O

Isomeric SMILES

C[N+](C)(C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl)S(=O)(=O)O

InChI

InChI=1S/C16H14ClF3N2O5S/c1-22(2,28(24,25)26)14-8-3-10(9-13(14)17)15(23)21-11-4-6-12(7-5-11)27-16(18,19)20/h3-9H,1-2H3,(H-,21,23,24,25,26)/p+1