4-[[2-(2-imidazol-1-yl-1-phenyl-ethyl)peroxy-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfonyl]-N-methyl-benzamide

Systemtic Name: 4-[[2-(2-imidazol-1-yl-1-phenyl-ethyl)peroxy-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfonyl]-N-methyl-benzamide Openeye Name: 4-[[6-(2-imidazol-1-yl-1-phenyl-ethyl)peroxy-1-oxo-tetralin-5-yl]methylsulfonyl]-N-methyl-benzamide CAS Name: 4-[[2-[2-(1-imidazolyl)-1-phenylethyl]dioxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfonyl]-N-methylbenzamide IUPAC Name: 4-[[2-(2-imidazol-1-yl-1-phenylethyl)peroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfonyl]-N-methylbenzamide Traditional Name: 4-[[6-(2-imidazol-1-yl-1-phenyl-ethyl)peroxy-1-keto-tetralin-5-yl]methylsulfonyl]-N-methyl-benzamide Formula: C30H29N3O6S MolecularWeight: 559.63276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2CCCC3=O)OOC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2CCCC3=O)OOC(CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O6S/c1-31-30(35)22-10-12-23(13-11-22)40(36,37)19-26-24-8-5-9-27(34)25(24)14-15-28(26)38-39-29(18-33-17-16-32-20-33)21-6-3-2-4-7-21/h2-4,6-7,10-17,20,29H,5,8-9,18-19H2,1H3,(H,31,35)