2-[2-azanylidene-3-(phenylsulfonyl)imidazol-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 2-[2-azanylidene-3-(phenylsulfonyl)imidazol-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-[3-(benzenesulfonyl)-2-imino-imidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-[3-(benzenesulfonyl)-2-imino-1-imidazolyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-[3-(benzenesulfonyl)-2-iminoimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(3-besyl-2-imino-4-imidazolin-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C25H31N3O4S MolecularWeight: 469.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C=CN(C2=N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C=CN(C2=N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4S/c1-24(2,3)19-14-17(15-20(22(19)30)25(4,5)6)21(29)16-27-12-13-28(23(27)26)33(31,32)18-10-8-7-9-11-18/h7-15,26,30H,16H2,1-6H3