[2-[(2-methoxyphenyl)carbamoyl]phenyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [2-[(2-methoxyphenyl)carbamoyl]phenyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [2-[(2-methoxyphenyl)carbamoyl]phenyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [2-[(2-methoxyanilino)-oxomethyl]phenyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [2-[(2-methoxyphenyl)carbamoyl]phenyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [2-[(2-methoxyphenyl)carbamoyl]phenyl]-dimethyl-sulfonium tosylate Formula: C23H25NO5S2 MolecularWeight: 459.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=CC=C1NC(=O)C2=CC=CC=C2[S+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=CC=C1NC(=O)C2=CC=CC=C2[S+](C)C

InChI

InChI=1S/C16H17NO2S.C7H8O3S/c1-19-14-10-6-5-9-13(14)17-16(18)12-8-4-7-11-15(12)20(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H,1-3H3;2-5H,1H3,(H,8,9,10)