[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]-dimethyl-sulfo-azanium

Systemtic Name: [4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]-dimethyl-sulfo-azanium Openeye Name: [4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]-dimethyl-sulfo-ammonium CAS Name: [4-[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]phenyl]-dimethyl-sulfoammonium IUPAC Name: [4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]-dimethyl-sulfoazanium Traditional Name: [4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]-dimethyl-sulfo-ammonium Formula: C17H15F6N2O4S+ MolecularWeight: 457.367419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F6N2O4S/c1-25(2,30(27,28)29)14-5-3-10(4-6-14)15(26)24-13-8-11(16(18,19)20)7-12(9-13)17(21,22)23/h3-9H,1-2H3,(H-,24,26,27,28,29)/p+1