2-(2-adamantyl)-4,4-dimethyl-1-[(2-methylsulfonylphenyl)methyl]-1,2-diazetidin-3-one

Systemtic Name: 2-(2-adamantyl)-4,4-dimethyl-1-[(2-methylsulfonylphenyl)methyl]-1,2-diazetidin-3-one Openeye Name: 2-(2-adamantyl)-4,4-dimethyl-1-[(2-methylsulfonylphenyl)methyl]diazetidin-3-one CAS Name: 2-(2-adamantyl)-4,4-dimethyl-1-[(2-methylsulfonylphenyl)methyl]-3-diazetidinone IUPAC Name: 2-(2-adamantyl)-4,4-dimethyl-1-[(2-methylsulfonylphenyl)methyl]diazetidin-3-one Traditional Name: 2-(2-adamantyl)-1-(2-mesylbenzyl)-4,4-dimethyl-diazetidin-3-one Formula: C22H30N2O3S MolecularWeight: 402.5502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(N1CC2=CC=CC=C2S(=O)(=O)C)C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1(C(=O)N(N1CC2=CC=CC=C2S(=O)(=O)C)C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C22H30N2O3S/c1-22(2)21(25)24(20-17-9-14-8-15(11-17)12-18(20)10-14)23(22)13-16-6-4-5-7-19(16)28(3,26)27/h4-7,14-15,17-18,20H,8-13H2,1-3H3