N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-octylsulfonyl-2-piperazinyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-octylsulfonylpiperazin-2-yl)acetamide Formula: C23H37N3O5S MolecularWeight: 467.62198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H37N3O5S/c1-2-3-4-5-6-7-14-32(28,29)26-11-10-24-20(18-26)16-23(27)25-17-19-8-9-21-22(15-19)31-13-12-30-21/h8-9,15,20,24H,2-7,10-14,16-18H2,1H3,(H,25,27)