14-cyclohexyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane-2,12-dione

Systemtic Name: 14-cyclohexyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane-2,12-dione Openeye Name: 14-cyclohexyl-4,7,10-tris(p-tolylsulfonyl)-1,4,7,10,13-pentazacyclopentadecane-2,12-dione CAS Name: 14-cyclohexyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane-2,12-dione IUPAC Name: 14-cyclohexyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane-2,12-dione Traditional Name: 14-cyclohexyl-4,7,10-tritosyl-1,4,7,10,13-pentazacyclopentadecane-2,12-quinone Formula: C37H49N5O8S3 MolecularWeight: 788.00866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(=O)NCC(NC(=O)CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(=O)NCC(NC(=O)CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C37H49N5O8S3/c1-28-9-15-32(16-10-28)51(45,46)40-21-23-41(52(47,48)33-17-11-29(2)12-18-33)26-36(43)38-25-35(31-7-5-4-6-8-31)39-37(44)27-42(24-22-40)53(49,50)34-19-13-30(3)14-20-34/h9-20,31,35H,4-8,21-27H2,1-3H3,(H,38,43)(H,39,44)