5-tert-butyl-2-(4-methylsulfonyl-2-tetradecylsulfonyl-phenyl)-1,2-oxazol-3-one

Systemtic Name: 5-tert-butyl-2-(4-methylsulfonyl-2-tetradecylsulfonyl-phenyl)-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-2-(4-methylsulfonyl-2-tetradecylsulfonyl-phenyl)isoxazol-3-one CAS Name: 5-tert-butyl-2-(4-methylsulfonyl-2-tetradecylsulfonylphenyl)-3-isoxazolone IUPAC Name: 5-tert-butyl-2-(4-methylsulfonyl-2-tetradecylsulfonylphenyl)-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-2-(4-mesyl-2-myristylsulfonyl-phenyl)-4-isoxazolin-3-one Formula: C28H45NO6S2 MolecularWeight: 555.79

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)N2C(=O)C=C(O2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)N2C(=O)C=C(O2)C(C)(C)C

InChI

InChI=1S/C28H45NO6S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-37(33,34)25-21-23(36(5,31)32)18-19-24(25)29-27(30)22-26(35-29)28(2,3)4/h18-19,21-22H,6-17,20H2,1-5H3