1-[(5-chloranylthiophen-2-yl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H20ClN3O4S/c19-17-2-1-16(27-17)10-21-5-3-20(4-6-21)9-13-7-15(22(23)24)8-14-11-25-12-26-18(13)14/h1-2,7-8H,3-6,9-12H2