4-[2-[2-(1,3-benzodioxol-5-yl)propan-2-ylamino]propyl]-2-(methylsulfonylmethyl)phenol

Systemtic Name: 4-[2-[2-(1,3-benzodioxol-5-yl)propan-2-ylamino]propyl]-2-(methylsulfonylmethyl)phenol Openeye Name: 4-[2-[[1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]propyl]-2-(methylsulfonylmethyl)phenol CAS Name: 4-[2-[2-(1,3-benzodioxol-5-yl)propan-2-ylamino]propyl]-2-(methylsulfonylmethyl)phenol IUPAC Name: 4-[2-[2-(1,3-benzodioxol-5-yl)propan-2-ylamino]propyl]-2-(methylsulfonylmethyl)phenol Traditional Name: 4-[2-[[1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]propyl]-2-(mesylmethyl)phenol Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)CS(=O)(=O)C)NC(C)(C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)CS(=O)(=O)C)NC(C)(C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H27NO5S/c1-14(9-15-5-7-18(23)16(10-15)12-28(4,24)25)22-21(2,3)17-6-8-19-20(11-17)27-13-26-19/h5-8,10-11,14,22-23H,9,12-13H2,1-4H3