(4R)-1-(4-bromanylbutyl)-5-(4-methylphenyl)sulfonyl-4-pentyl-1,5-diazocan-2-one

Systemtic Name: (4R)-1-(4-bromanylbutyl)-5-(4-methylphenyl)sulfonyl-4-pentyl-1,5-diazocan-2-one Openeye Name: (4R)-1-(4-bromobutyl)-4-pentyl-5-(p-tolylsulfonyl)-1,5-diazocan-2-one CAS Name: (4R)-1-(4-bromobutyl)-5-(4-methylphenyl)sulfonyl-4-pentyl-1,5-diazocan-2-one IUPAC Name: (4R)-1-(4-bromobutyl)-5-(4-methylphenyl)sulfonyl-4-pentyl-1,5-diazocan-2-one Traditional Name: (4R)-4-amyl-1-(4-bromobutyl)-5-tosyl-1,5-diazocan-2-one Formula: C22H35BrN2O3S MolecularWeight: 487.4939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(=O)N(CCCN1S(=O)(=O)C2=CC=C(C=C2)C)CCCCBr

Isomeric SMILES

CCCCC[C@@H]1CC(=O)N(CCCN1S(=O)(=O)C2=CC=C(C=C2)C)CCCCBr

InChI

InChI=1S/C22H35BrN2O3S/c1-3-4-5-9-20-18-22(26)24(15-7-6-14-23)16-8-17-25(20)29(27,28)21-12-10-19(2)11-13-21/h10-13,20H,3-9,14-18H2,1-2H3/t20-/m1/s1