(1-hexan-3-ylazetidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-hexan-3-ylazetidin-3-yl) 4-methylbenzenesulfonate Openeye Name: [1-(1-ethylbutyl)azetidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-hexan-3-yl-3-azetidinyl) ester IUPAC Name: (1-hexan-3-ylazetidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(1-ethylbutyl)azetidin-3-yl] ester Formula: C16H25NO3S MolecularWeight: 311.4396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)N1CC(C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(CC)N1CC(C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H25NO3S/c1-4-6-14(5-2)17-11-15(12-17)20-21(18,19)16-9-7-13(3)8-10-16/h7-10,14-15H,4-6,11-12H2,1-3H3