N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]propan-2-amine

Systemtic Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]propan-2-amine Openeye Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]propan-2-amine CAS Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]-2-propanamine IUPAC Name: N-[(7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]propan-2-amine Traditional Name: isopropyl-[(7-mesyl-4H-1,3-benzodioxin-2-yl)methyl]amine Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1OCC2=C(O1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)NCC1OCC2=C(O1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H19NO4S/c1-9(2)14-7-13-17-8-10-4-5-11(19(3,15)16)6-12(10)18-13/h4-6,9,13-14H,7-8H2,1-3H3