3-[4-(3-bromanylpropoxy)phenyl]sulfonyl-2-propan-2-yl-quinoline

Systemtic Name: 3-[4-(3-bromanylpropoxy)phenyl]sulfonyl-2-propan-2-yl-quinoline Openeye Name: 3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-isopropyl-quinoline CAS Name: 3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylquinoline IUPAC Name: 3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylquinoline Traditional Name: 3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-isopropyl-quinoline Formula: C21H22BrNO3S MolecularWeight: 448.37328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C=C1S(=O)(=O)C3=CC=C(C=C3)OCCCBr

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C=C1S(=O)(=O)C3=CC=C(C=C3)OCCCBr

InChI

InChI=1S/C21H22BrNO3S/c1-15(2)21-20(14-16-6-3-4-7-19(16)23-21)27(24,25)18-10-8-17(9-11-18)26-13-5-12-22/h3-4,6-11,14-15H,5,12-13H2,1-2H3