N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-bromanyl-4-methoxy-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-bromanyl-4-methoxy-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-bromo-4-methoxy-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-bromo-4-methoxybenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-bromo-4-methoxybenzenesulfonamide Traditional Name: 3-bromo-N-homopiperonyl-4-methoxy-benzenesulfonamide Formula: C16H16BrNO5S MolecularWeight: 414.27094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C16H16BrNO5S/c1-21-14-5-3-12(9-13(14)17)24(19,20)18-7-6-11-2-4-15-16(8-11)23-10-22-15/h2-5,8-9,18H,6-7,10H2,1H3