2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylamino]ethanesulfonamide

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylamino]ethanesulfonamide Openeye Name: 2-[(3-bromo-5-methoxy-4-propoxy-phenyl)methylamino]ethanesulfonamide CAS Name: 2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]ethanesulfonamide IUPAC Name: 2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]ethanesulfonamide Traditional Name: 2-[(3-bromo-5-methoxy-4-propoxy-benzyl)amino]ethanesulfonamide Formula: C13H21BrN2O4S MolecularWeight: 381.28584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CNCCS(=O)(=O)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CNCCS(=O)(=O)N)OC

InChI

InChI=1S/C13H21BrN2O4S/c1-3-5-20-13-11(14)7-10(8-12(13)19-2)9-16-4-6-21(15,17)18/h7-8,16H,3-6,9H2,1-2H3,(H2,15,17,18)