3-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-keto-ethoxy]benzonitrile Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O6S/c22-14-16-2-1-3-17(12-16)30-15-21(25)23-6-8-24(9-7-23)31(26,27)18-4-5-19-20(13-18)29-11-10-28-19/h1-5,12-13H,6-11,15H2