2-[4-(oxan-4-ylcarbonylamino)phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-(oxan-4-ylcarbonylamino)phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-(tetrahydropyran-4-carbonylamino)phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[[4-oxanyl(oxo)methyl]amino]phenoxy]ethyl ester IUPAC Name: 2-[4-(oxane-4-carbonylamino)phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(tetrahydropyran-4-carbonylamino)phenoxy]ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)NC(=O)C3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)NC(=O)C3CCOCC3

InChI

InChI=1S/C21H25NO6S/c1-16-2-8-20(9-3-16)29(24,25)28-15-14-27-19-6-4-18(5-7-19)22-21(23)17-10-12-26-13-11-17/h2-9,17H,10-15H2,1H3,(H,22,23)