2-(6-chloranyl-4H-1,3-benzodioxin-8-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(6-chloranyl-4H-1,3-benzodioxin-8-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C20H20ClN3O7S MolecularWeight: 481.9067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=C3C(=CC(=C2)Cl)COCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC2=C3C(=CC(=C2)Cl)COCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O7S/c21-16-9-14(20-15(10-16)12-30-13-31-20)11-19(25)22-5-7-23(8-6-22)32(28,29)18-4-2-1-3-17(18)24(26)27/h1-4,9-10H,5-8,11-13H2