2-naphthalen-2-ylsulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-naphthalen-2-ylsulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-naphthylsulfanyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-naphthalenylthio)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-naphthalen-2-ylsulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-naphthylthio)-1-(4-nosylpiperazino)ethanone Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S2/c26-22(16-31-20-8-5-17-3-1-2-4-18(17)15-20)23-11-13-24(14-12-23)32(29,30)21-9-6-19(7-10-21)25(27)28/h1-10,15H,11-14,16H2