1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-thiophen-2-ylsulfonyl-piperazine

Systemtic Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-thiophen-2-ylsulfonyl-piperazine Openeye Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-thienylsulfonyl)piperazine CAS Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-thiophen-2-ylsulfonylpiperazine IUPAC Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-thiophen-2-ylsulfonylpiperazine Traditional Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-thienylsulfonyl)piperazine Formula: C16H17N3O6S2 MolecularWeight: 411.45268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N3O6S2/c20-19(21)13-11-15-14(24-7-8-25-15)10-12(13)17-3-5-18(6-4-17)27(22,23)16-2-1-9-26-16/h1-2,9-11H,3-8H2