[2-(4-aminophenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-aminophenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(4-aminophenyl)-2-tetrahydropyran-2-yloxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-aminophenyl)-2-(2-oxanyloxy)ethyl] ester IUPAC Name: [2-(4-aminophenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-aminophenyl)-2-tetrahydropyran-2-yloxy-ethyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=C(C=C2)N)OC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=C(C=C2)N)OC3CCCCO3

InChI

InChI=1S/C20H25NO5S/c1-15-5-11-18(12-6-15)27(22,23)25-14-19(16-7-9-17(21)10-8-16)26-20-4-2-3-13-24-20/h5-12,19-20H,2-4,13-14,21H2,1H3