4-[2-(4-fluorophenyl)sulfonylethyl]morpholine; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[2-(4-fluorophenyl)sulfonylethyl]morpholine; 4-methylbenzenesulfonic acid Openeye Name: 4-[2-(4-fluorophenyl)sulfonylethyl]morpholine; 4-methylbenzenesulfonic acid CAS Name: 4-[2-(4-fluorophenyl)sulfonylethyl]morpholine; 4-methylbenzenesulfonic acid IUPAC Name: 4-[2-(4-fluorophenyl)sulfonylethyl]morpholine; 4-methylbenzenesulfonic acid Traditional Name: 4-[2-(4-fluorophenyl)sulfonylethyl]morpholine; tosylic acid Formula: C19H24FNO6S2 MolecularWeight: 445.525363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H16FNO3S.C7H8O3S/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-10H2;2-5H,1H3,(H,8,9,10)