[1-(diphenylmethyl)azetidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(diphenylmethyl)azetidin-3-yl] 4-methylbenzenesulfonate Openeye Name: (1-benzhydrylazetidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(diphenylmethyl)-3-azetidinyl] ester IUPAC Name: (1-benzhydrylazetidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzhydrylazetidin-3-yl) ester Formula: C23H23NO3S MolecularWeight: 393.49862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23NO3S/c1-18-12-14-22(15-13-18)28(25,26)27-21-16-24(17-21)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,21,23H,16-17H2,1H3