N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-phenylpropylsulfonyl)ethanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-phenylpropylsulfonyl)ethanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-phenylpropylsulfonyl)acetamide Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CS(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CS(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO5S/c1-17(19-10-11-20-21(15-19)28-13-6-12-27-20)23-22(24)16-29(25,26)14-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,17H,5-6,9,12-14,16H2,1H3,(H,23,24)