2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C20H20N4O5S3 MolecularWeight: 492.5916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3CS2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3CS2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S3/c25-19(14-31-20-21-18-7-2-1-4-15(18)13-30-20)22-8-10-23(11-9-22)32(28,29)17-6-3-5-16(12-17)24(26)27/h1-7,12H,8-11,13-14H2