N-(1-cyanocycloheptyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]acetamide Formula: C23H32N4O5S MolecularWeight: 476.58898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H32N4O5S/c24-18-23(8-3-1-2-4-9-23)25-22(28)17-26-10-12-27(13-11-26)33(29,30)19-6-7-20-21(16-19)32-15-5-14-31-20/h6-7,16H,1-5,8-15,17H2,(H,25,28)