7-cyclohexyl-5-(4-methylphenyl)sulfonyl-1-[2-(triphenylmethyl)-1H-imidazol-5-yl]heptane-1,4-dione

Systemtic Name: 7-cyclohexyl-5-(4-methylphenyl)sulfonyl-1-[2-(triphenylmethyl)-1H-imidazol-5-yl]heptane-1,4-dione Openeye Name: 7-cyclohexyl-5-(p-tolylsulfonyl)-1-(2-trityl-1H-imidazol-5-yl)heptane-1,4-dione CAS Name: 7-cyclohexyl-5-(4-methylphenyl)sulfonyl-1-[2-(triphenylmethyl)-1H-imidazol-5-yl]heptane-1,4-dione IUPAC Name: 7-cyclohexyl-5-(4-methylphenyl)sulfonyl-1-(2-trityl-1H-imidazol-5-yl)heptane-1,4-dione Traditional Name: 7-cyclohexyl-5-tosyl-1-(2-trityl-1H-imidazol-5-yl)heptane-1,4-dione Formula: C42H44N2O4S MolecularWeight: 672.87476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCC2CCCCC2)C(=O)CCC(=O)C3=CN=C(N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC2CCCCC2)C(=O)CCC(=O)C3=CN=C(N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C42H44N2O4S/c1-31-22-25-36(26-23-31)49(47,48)40(29-24-32-14-6-2-7-15-32)39(46)28-27-38(45)37-30-43-41(44-37)42(33-16-8-3-9-17-33,34-18-10-4-11-19-34)35-20-12-5-13-21-35/h3-5,8-13,16-23,25-26,30,32,40H,2,6-7,14-15,24,27-29H2,1H3,(H,43,44)